# systems

unique_id: d04597c98cc17dbeaacd350ea25419a3
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [20, 20, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 67.808282852172852, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: e3f5e33acb99b90033b1c281f7a730ba
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ar", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 29.537842035293579, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8362030072bda6bd2dcddcee1b15723a
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [20, 20, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 52.676830053329468, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6fc4261ec1ff8a402a72a6fdcfe79624
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ar", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 28.626549959182739, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9863b41e4f5b0db1ca57ae1675fc3798
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ar", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 26.231338024139404, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: fd602ae1141844834df6ce4de879d1ed
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [20, 20, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 40.160307884216309, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: e173b965bd1a1ee5ee1acea1d89b9d05
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ar", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 25.238301038742065, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: fd5ce94d9031b88c0961267f492ad204
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 35.741098880767822, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: d90b15df32e05feec1fcf482c6d35501
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ar", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 23.939775943756104, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: cfb1b60eca2f98b92dc3cfaad95512d8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 31.677449941635132, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: b7b0e72884e816df5fcbf6d57133f91c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 29.43695592880249, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6b1a65fb9151ee10fd60f14d70809a01
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 26.975836038589478, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: e34879a43f068aae855ed19483bf19e6
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [12, 24, 12], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 779.41483211517334, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: fc224a5bf5c16f0cafed15ce9aa47c7f
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 8, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2629.1486928462982, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 596f143ac3063e18ecd71512d6719a86
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [18, 18, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 657.30950212478638, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8c6349ab07a12a77ef1a37dd12b3d9df
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 612.60372018814087, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6210e9ccbab4afff6e0d345e51984f5e
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [12, 24, 12], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 667.18336510658264, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: df4e0f38bf7f1423163c217e5da5cebc
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [18, 18, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 410.69685316085815, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 725d526da364d20ff53e07521fd7c9c8
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 511.11346507072449, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 929b1fada765da90ab43e0e27e8a8dd9
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [12, 24, 12], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 569.90076398849487, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: d48f4623df233a03b2df4f48b121d9de
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [18, 18, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 362.51845097541809, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 89b14f8261ecc9162ffcc66d848f1452
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 378.23078799247742, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3886614faeddd8d380450e1532ffd2bb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 293.17147898674011, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 706acdf34b674fa1d8d7912df4ca86a3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 529.43765902519226, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: f3020fbe4e1447c1a67441a07e9e0560
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 334.94425702095032, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: e205037f1385fa77a9b05194c965fa5c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 266.26239490509033, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 49a6e81f7f33df886e41028414416a36
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 8, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1801.1314480304718, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: aecd6fe98c407a9a73bab5c43e36b203
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 330.6116189956665, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: f2386d2872f1e4b4d60224ff86a09a52
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 270.92909097671509, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: c1196543d54ccecf9f5ec6804b1547fa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 496.08516097068787, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: b028305b58083e78b1d87c91bc4208d0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 301.32885503768921, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4fa38cb4f8613e43ea2dec3d2b2206d2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 292.55541801452637, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 610202439ce32c6ccd275957987a01b0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 274.66963791847229, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: ac482e35a921712ad0885bad49c3057d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 469.33823800086975, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 851e32e43d87856bd7dae88df5b2ac7d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 428.55634784698486, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3be5c9afd2375fd65efd4bb17c30a451
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 8, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1233.2499959468842, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 13dbdd48acaf8abb1e1c0c067c8d294a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1567.2162380218506, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9701a3f44f5af0e331b65f654f09d638
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1033.110121011734, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: df3253e9177d17fb0c340fa141feeb0e
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "B", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 6560.294319152832, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: fdaaff18ecb70e1db4ec30d778c1451e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1166.2934169769287, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: b395ce1f61ea3a142925c6394cfd36ad
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 943.12889719009399, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: dadd296a21e1e16d50bec4b426f94b00
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 734.34988403320312, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: cf0c04b1b71ad82b78f50e28e833c9e5
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 34], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3309.1894950866699, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9c9cd6e75a379d3699d5b7bca92a706d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1229.6590189933777, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1015aecd015de005d83e602c67851bad
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 703.85652279853821, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8f3ec53dad4ae36ff7b5705848ab399e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1062.8216979503632, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7bd4e76c0cc0ebdb737d76a8ec00e5f1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 880.51392006874084, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: aac2a8e22d20978041c3deafe788206a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 664.22425198554993, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: b39cbb68d53afa6bbe4a097e94bd8892
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 34], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3000.187793970108, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 420324b293ad88a9d01261565573933e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 553.90041494369507, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: fc123c226e70a86a5a9fec355b6062c6
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "B", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 5750.5449550151825, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: a6b1da1ddc25a41e731150f2fdd781f2
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 34], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2779.196545124054, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: dbf129bcd738032b3eb60fe3db9dad4a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2253.5002069473267, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4c137739943af6e3051bdac47458847a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "B", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 4857.2279360294342, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: f2d27c98ea4f28a20da480791aa3d243
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2263.0687539577484, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: a21100dea37a678347d147fb8846c3db
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1691.4420340061188, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 788980f825bfe912381681ea4f853e2e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1538.7715950012207, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4f2554f6dbd21ec95c6dbb343d766125
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "B", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 4437.0311040878296, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 643a9b94ffbd341fe906de0df419016f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "B", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 4043.3184540271759, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 31426df1bb8ab4655e4fee4c8225ec90
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [44, 44, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1349.0454139709473, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4cefebe266e04f007f0c53590e2480b8
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [44, 44, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 831.07176280021667, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 72eb53ef34ed8af7241c37613eb08967
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [44, 44, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 715.26798892021179, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 45028fef6321badc8a5f31c8c77712aa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 497.75618982315063, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 49669edd9ab72827e1c4833c53605a10
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 4830.7852189540863, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3e26afd5fef9dea0971cfa13d5f6d335
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 449.59744501113892, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: b6a17471ac63419073182fff532e2dc2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "B", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3704.5933220386505, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: fce6887fc2ea4a6b4caf2b8fde728762
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 417.87626099586487, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: e59e2e9ab320625e7ddd613f61fca1f0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 400.12699007987976, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: ea5b3f51c03df514b1de5a8bfc09219f
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 30], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 574.18511605262756, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: c0e2cbc31d150ab5e8b4df443e6a4994
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 30], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 480.13506293296814, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: e907440a4b2decb3d16a24f738805743
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 30], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 505.00498485565186, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: eefabbd93042a5797d1b0836fe6cd1bd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 469.77001309394836, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6c023bfc4249126da68968be4bf948b7
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 10], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1685.8174948692322, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6bb7528effd6e8b2e59bcb20aa7ef4b7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 434.53126192092896, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: a0a243954cc38407a4dfd15c949f0f32
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3694.1459348201752, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: ca77012bc4155bea815a4407b657f656
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 435.17223119735718, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 95eb81500c1fc49b60a1d79cea8a537c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 410.29782319068909, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 60266bf62cfd2903bc28c7b0652c3a30
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 10], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1517.7786200046539, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: faf58fc208418717cde4c68212e9e4fe
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 490.41305899620056, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 843787330b6205df40299f69a0adaf9c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 440.24393796920776, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 88c3e15cb99051397b34310726336fd2
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 407.04884815216064, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7b7a7b55d648853affb2ff7bb7c14257
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 10], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1354.458801984787, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7090cbc72a99e53c435d6c7383b33571
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 376.58729004859924, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 879783d417ec29afb2ac04f982fcd83f
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [22, 12, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 6695.6297428607941, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 79b6674cbaa115474370dc80c86f027a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 345.51401305198669, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: e27d1f70765c185a636355f08762eaec
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 335.03306913375854, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3ed895be96baacec2de9c347c1bff220
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 313.52700996398926, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: a5919e186006a286ce387f82d2a8fa39
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1149.9644119739532, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: c4ca2bf973f29ff2feb72e0a476395d0
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3376.932275056839, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 41ec2d5a35ce102ac0149fef94f0b3e9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1020.9755210876465, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2146a599e2921c8c9c4d2ac0ae2f1746
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1140.9270679950714, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: e41a9192ae42ad4306811f46ed4ac948
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 953.18130207061768, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 96653c1a670a982814ded44697871083
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1003.3454811573029, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 480137d875595ac5f9cd8b78cb627171
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 890.38186001777649, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: f551b70935e913498f691597be8493cd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2819.3074538707733, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: b743842769b3f3edb9df3ec6b503bc33
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [22, 12, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 4204.0330400466919, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 52b28c36af1974eec3c80b8052b7ccaf
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1048.484808921814, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: f912c2d2da585e94ba08a6844adc66ee
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 69.943382978439331, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: d18c20f956b8290994341a370db4d1c0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 63.347995042800903, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1ed05328ba6bccfc63b2deb75889baf1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 61.338397026062012, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4350830356090ad839213518b10a7270
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 59.102489948272705, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4d2a4f374d2135c34d15a3aba657b290
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 56.850101947784424, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: cc90fd9b67dd84dd1a482572a88669a9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 54.930037975311279, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2aec9db7e3a50282704a217ad9a26fbd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 835.98273086547852, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: bc309e4b993d8870e69479ca0cc4aa6b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 53.98639988899231, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 145907cf5aed2e3e30ff3f8f354aff05
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 48.180490016937256, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: a866a71a86ae3b946a18a8b0c5eb68cd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 49.05917501449585, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: e8444a8c10a7fcfce67eb27bb92e1708
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 42.336627960205078, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: bf55ed1e67f94ace65a609d36bb59d44
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 30.986281156539917, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: d780947d76847583676ac4d9dedb474f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 28.540701150894165, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: a75488dbcb415a67f61e8d01defafcb1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 26.922168016433716, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: f165b2801633dc144ed33181c2fba4fa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 24.188539981842041, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: dedad157f6349a0a67455448ab1f7d14
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 244.751629114151, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 60f82eb2591f35220147eda0dbcc20fc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 677.78800106048584, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1970c76004d38dc3f71266f605caf1bd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 192.87810492515564, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 75e67f791401a64ec37e1b9839fdbb0e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 188.06828308105469, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: c12e5a7aac55af41c3a396ada8639ec3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 176.55918383598328, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: b8d0eb5c39315b2e9b5244252486ee33
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 179.87269592285156, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8b4d735faa66ad19c484dc4d7919ad2c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 644.1351478099823, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: dc8443f367cfaf80928ff1d29b48af5b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 164.45277905464172, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 49bc12d06ea825ddd98c6fe28c4d0397
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 168.36918592453003, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: ae5df93beae4e9e6363c0567d5c7959d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 619.16492319107056, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: fc35dc4be0ea87072f73858e0ed637fe
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [32, 32, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 366.55417704582214, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3dd0045d882bd592fbf74fc0314a4f09
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2693.6348481178284, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: c703f820e32558fc2d03d3f1d4ccbc87
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [32, 32, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 237.22334814071655, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: f3cb814356b2c260469abac9f68dbd2a
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [32, 32, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 217.35294485092163, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: fe100bb40a318c78282b46fd1d06dc75
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 199.86481213569641, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 40f8de04a5ad9647cda3ba566fe079a7
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [22, 12, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3154.0012888908386, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2724eeab4edb0061aabd55b4a49ac319
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 222.54649686813354, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1eedbc7bdf7283d7083f71cf5c254d42
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 191.89535903930664, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 94608de7a68e29ba2c814e82f6fb1cb0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 198.56526494026184, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: d317104b61e05a9e644fe9e77bb41853
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2185.5754101276398, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: e2046794c0c183d6cfc33406381297f6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2344.9146680831909, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: ba3c822b581901425d8305e55ac472f3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2602.2715659141541, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 813f53d07b4a6752436cd2b780261d88
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1051.3957588672638, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: dbbeb955ffb3e6b8f3b2782865809e88
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1985.4722340106964, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6b7f2e3d8c947a26423569b2cda3bab4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 961.01617312431335, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 348daef58e6e9cda6366f7204e5b6703
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 713.12456297874451, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6f95b1c32bdebe0514781c02a8cd57a4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1976.3135800361633, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: c045e299f8b89384f3df09e1e26a9a43
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 593.79688215255737, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 39ebc6c315e15479b968925de1fc4300
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 503.51836705207825, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3ed2ff44318781ef360d123db1d90886
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 424.34575819969177, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: a523d2f512ec73874db6f61abf9e5164
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 26], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 457.32950401306152, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: b90c4d8d40438e9fe3d4afcb721e829b
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 540.07306098937988, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: ef91a053f5bbc9748aa5fc91394aadde
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1914.9531140327454, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: ee3bb24402e3665dd0e84d5350942045
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [38, 38, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 777.93600583076477, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 578f8a611b54f4978d029fe25a2e7ac2
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 26], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 393.91855812072754, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: dfc595fb961a54045205749efc83da6e
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 476.13811612129211, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: b914e0cc24da601de92a5402afe72d92
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 26], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 393.63990712165833, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7b2f34ad47f5b2040a0b370c811c90b7
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 416.88994002342224, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: a056ddffd3ca896a6539a4689c037e85
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [38, 38, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 711.78747487068176, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2a93cb8877bbac65ec160e1f9a395ca1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 363.01263999938965, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 19f0b7a68c2dce85f0dbc2237ad0fa9b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 382.11906313896179, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 88da97e9afcbef0b78cbf6dd6bde1ff4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 7313.5920629501343, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: a22831658b8e242dfd540caae8dc00fa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 351.95190095901489, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: a91561f1b0f6f8949f6a5b68b89bd740
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [38, 38, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 600.7186279296875, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: c6afdffa6709fdbe736c7ec6c8b7a3dd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 318.85752606391907, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: ac9d69e0362866524e639e524ba33846
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 325.25573992729187, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 41a59e4a0881d247a3bced99246aab0e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1862.9784860610962, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3a69fa251eb58ed073c02b9d90053723
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 322.24488997459412, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: d6c8b96f0be534ecf6a8fdd0fb27b405
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 503.34269690513611, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 213d11c840462ea259618430aff17883
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 299.80925416946411, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 677398a1fd42dabfd23436110e6fe4bf
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 276.23810601234436, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 26f30ffdce15f480af32f5bbc5fbda9a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 494.77115416526794, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 939106a75f222c54e2edca7f57ac7297
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 16], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 512.19506001472473, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: c6441eb74f63de6b78562a28448678a4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 380.51114511489868, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9db11a8c0a4cec8b1e9675644b5e1e0e
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 16], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 467.67694878578186, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: c12c17eba7952fd50123a8d6cb4189fd
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [12, 22, 10], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "I", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 962.07974696159363, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6160d47be81af047e9965f9670dc34ca
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 8], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1330.3713850975037, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: ecd4279479177906fa2a6f03021c6842
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 377.18858098983765, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: bd8aecbd1070ff94e0f5719877a2f343
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [14, 14, 14], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 76.494309902191162, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 57458bbb7d1d1c07927c485a563dd6c1
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [14, 14, 14], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 74.271108150482178, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 90480963b7abe040c5a31d956c775127
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 16], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 434.15342783927917, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6540e615eac69993310308fe9f6cd5fb
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [14, 14, 14], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 71.730288982391357, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8c7d58309316787f48699b9c4b9eebee
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 68.790920972824097, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 36617007d5837b47df0b374a4a085d0b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 67.221587896347046, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7849dfb17ecd6a773aa9f234a3f1c4c2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 76.734819889068604, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: c7477f1e2f6c28fba0c65a0aee4189bc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 73.847310066223145, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3092983bf0cdbae31799aa9c942f5a6e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 414.61658811569214, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 533808d1534e723d9f00ac57f4cce911
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 71.549133062362671, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5c04dea08a7633757cb2ae1a7a148d4b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 64.941443920135498, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 59a2ee3b667f41c03043f5938482ec17
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 59.746648073196411, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: bb9171fbff5c99633d2f666c2b5c4b91
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [12, 22, 10], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "I", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 904.95239090919495, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9e0057660b91eac701787205c9519ae5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 55.44968318939209, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1b57a8acde8c9875f70d1a2fa962d55d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 52.176136016845703, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 864e91ac788147d2093a4cfb30c135f5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 48.406570911407471, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4f8807d18c9478188ed47508be58052a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 46.496717929840088, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 51160352f8b88f4e036c90ad41fe2fb1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 391.31390690803528, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4e0e9efbe033d93ac04f03fe38dbbfe0
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 8], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1209.6174750328064, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8a31f6d5a8215526bb54ae92be221fd3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 368.89368009567261, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: bfc235e940ef8681e6911f84e9803b1d
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [12, 22, 10], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "I", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 791.21559000015259, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5d74c22f663b00b000e06527ffc18a3f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 344.88451600074768, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 18c82220860205d5c24ba9c08edb58f4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 826.17240881919861, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9876d26208785e780fdfa9192afcb210
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 8], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1114.0968759059906, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: eb33252fad60dd20c2741568de7465a1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "I", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 760.18025708198547, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8b427001c6cdfd14ca75fc8b3d9c911e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 657.33088803291321, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: cdb2a2c0eed3730a878981cd36de3784
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 577.38518786430359, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: d9667bf07fc0a2eaf07465c17e3a5423
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "I", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 790.85590791702271, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 258c81d17317d98b3af75595eb957e67
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1039.5754890441895, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 136bf82991a8325a63afef8a6d6664bb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 418.64642596244812, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3deb3975641ad8778f3b1fe0fc85a6c6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 5506.6796200275421, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7125245cbd97210f5080b58f307b2bc0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 327.9148850440979, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: b9d46ef8402f9f3b99b521bdde622b9c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "I", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 761.56687188148499, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 17753148ab4037b31f2f15e2f47661da
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 339.97501015663147, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9e6c14a219e9e95cf5d6c5fa12707d90
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1076.5342388153076, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 29fa3e2c756028ebad7a277091c944d6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 300.6709771156311, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 68be837773b62508447f8c8e61a88a2d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2877.4472451210022, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8058834f593c29f01c128e13e4e65202
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "I", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 729.75041103363037, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6c70a0ae324ca87ce4ca5b57ebcfcdc4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1120.0035660266876, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: cdacaa5db92e30ae59d15a4266b09191
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1143.4842948913574, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: f28e2a02f254fdb95dc6f6e2ed51f246
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2387.2634301185608, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 70787570ba3e10a4c1b1c5cb477e55c9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 12590.721588134766, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 15a44a8f580d16bf422ef53e95f1588b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1056.0580439567566, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3deab0b89bd92d0311b8ac2d86b1e6d8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 871.5806519985199, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: cf962e6cb4bc56a4b52303f447ca988b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2522.4110670089722, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: c35e3b47db1e4b8c55b582350ce13dc3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 832.44209313392639, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 82eeb97dba7dd0796e66eb23f3f051a7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1619.029825925827, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: fa34f5491954e828062aceeae4a60852
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 731.50990915298462, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 293237dfd97fb93f6a1ece6508ac826c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 4070.5729961395264, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: b839f4cac02c5b35633a0f0d43172da8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1158.4934530258179, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: a2754d8b3527b6899148e569221eed20
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 683.49375200271606, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 89790c7334af1aea78fc9d241789f3b9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2312.3422989845276, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: ff2f5119922019e32e64c8515fbe8e3b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 608.40641498565674, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 39bac3a2c4ab4cd64308ec27c50e33a5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 699.4103889465332, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: c64b34c8cc2c1349ee1c85a1c655265c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 617.03354692459106, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 76c04950e3da07aedab2dd3b2c46d235
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2152.3407611846924, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: cce2e2f7bf72fa3159ac65f91748b7d9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1924.3325958251953, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 54ea293b9ce65161c67f5f2494329aa1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 5376.0537130832672, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 50d499fd30a10b1caad10516b49db9c4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2193.9297840595245, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: d1a2cb6d9a3d27e44bdaec6eb123152e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1816.2937028408051, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: d9a0f9ea66cf70753ae4cbc0b1a604a4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1298.4459471702576, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: d8c26adf39252ab50daaf22fba3ed71e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 8086.9335041046143, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 431024907348223a8d9771c27f54ffe0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1608.048416852951, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 54e235c9f6f144633def05392adefcc5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 846.90592908859253, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2d9b65214885910eeaee06d9acdfec7b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 659.75772905349731, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 32f3d0c1b81c5a0f67770d7b112dd594
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1152.6472399234772, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: d87b4984923f25e28111ba46a9160192
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 601.31775283813477, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3aa7b183755ae7bb3a7fb1fa05fd5787
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 7392.4831199645996, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: ed75c8725a5f0e9cb88ec0f25d9c3126
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 964.27744293212891, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8c23697cb3bec92eddde3d72c713945b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 5049.6729769706726, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: f920bbef8f387854f52f3e121182fc79
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2723.6394650936127, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9671a43234982801af9fcc8d76070799
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1502.1683080196381, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: d6011a9b756264265b18e5e3be79bff1
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 9029.3397719860077, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: d9dd5e4a06e2e4aa74a4a98012b13293
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2795.8397388458252, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: c4f626fe1ffc3be433de4eac042bd7fb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1260.786003112793, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8da19415370f3d309f6c3429b4a57758
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 25040.937094926834, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1374ea960e3a850e66482e1bc5825d1f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1436.5894072055817, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: b537c483e683ff803036bd592aeeb559
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2260.2190058231354, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7ec3b98ad57891dcee669d228d220929
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 5323.868371963501, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 642cc7be4901cd74947e6173b0a715a9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1105.2230310440063, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 703aafac1ca24141673dcf355614996a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2528.756089925766, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8a8454a760b169a38f1e5e4d7ec577d9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2050.0245900154114, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: c8689e04e926916182d2bf7df7737165
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 5441.5498130321503, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5a9ab1fb57d7c73d6f89d80ab1d50f45
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1477.7583608627319, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: b55576cc37397fc471f416b65f78fac7
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 5951.4007079601288, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7b9bfe4d688fd8a1b2ddaf28bce3f023
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 577.61955785751343, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: b0ae96daa589dc7a8eca402c7e115020
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 519.30579805374146, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: e3da2458e75f18c1ca651750f9c2ff57
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2641.6957170963287, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: c3374297e968a25ee3215c49872ab614
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 10460.363437175751, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5221025af3de2d07edd4df32ec716f91
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 502.2596230506897, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7de8fcb2bb08e7520e4a28d6680e5898
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 425.3993079662323, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7e53f2a90f94fb029f6a7c9707f7b312
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 392.17673397064209, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1bce6ed2f2e3f16807851d1752eb696f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1477.3772239685059, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 889dab44c0bc18878c966ccff89c036d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 344.67520499229431, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: c1eb8d9c13360775ef885bc14a5cd93b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 319.98640394210815, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: d1466bd8192f120e6580fa13432ca3ad
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 444.92024207115173, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 162b2c90da5b5851b499832a3ad90547
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 35932.752213954926, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: b827e815a67e32f4731c42109dbbda6b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1277.3619520664215, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 23351f460da61164910041bebb25325e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 465.94263792037964, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 390c448b2ee1b332ca05376a83bd594f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 399.73460698127747, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6c46d553fe2eb6116d1f2f9cc89e6459
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 371.60308289527893, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7382b065bf6373efe27dcd236c55fa76
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 290.23037695884705, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: e1a6b3a8f638a3b213eeec7431107c5f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1187.5322518348694, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1f75a0d97ebf86d7a413a1f916159628
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 272.64342498779297, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5a19e57a268d4395c3bbc841492368cb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 255.9958119392395, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 160ce3f5b2fe91fdc2ab1d5a1fa59b30
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1014.1795217990875, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 92582e31b56ea1437bf29998329da25c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1140.5853180885315, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: b610722f4c2b76ce1a4f558b4bcc6d32
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 865.1915590763092, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: bb09888198505459c621d571681931c9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1814.4155919551849, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: d31fa4ebc4ade25483099b4b4b66065b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 720.0991199016571, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 62a9e2f8ee90000b2148076dcbbd7b19
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 6874.7109649181366, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 84c94b44ceb9d7e5b81b86dcd25e300c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 649.22072196006775, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: ed8e1ea3e20ffc5c9e7c9e494a5663f3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1698.478725194931, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: cee3abf5f38a6042c78047b11ac7e05c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 678.22379612922668, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 244296394effeadbbeb004ac8db0a0a5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 588.99924302101135, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 47c3d3e6dc08207fae823512d0ea24fe
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 10310.148100137711, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: d2cdf4ece35890435054df4cc8e6fca0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 682.80036783218384, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 47a000deb49a3169744293e488a28adc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 162.86738204956055, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5286c56b36ce389fd37d0d3240f68eaa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2874.5889902114868, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4534f62e052f7f50ccb458227cc73d81
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1619.1785759925842, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: a56c0b613c395fcfdbc9c1fd0787c6f0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 158.55054092407227, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 48fa8ae66b449056eab4e9605c3602c0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 114.5212230682373, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: dc851df3bc0a387059d96a760d7d0ba8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 95.620442152023315, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8e5c124620fdc4b42a76bb4ac9b763ca
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 97.745224952697754, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: dafb536f781a6dc2d85ea4f7624e78b1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 93.284312009811401, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 783844979ab4cd4d43307e8769cd8417
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 83.94322395324707, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: b0ac3156a18589fd44efd52a066b47b4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 116.24889397621155, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 651bdab28b918ab0d151f8a38d7e42c1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 112.3932511806488, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 69c1f7a0903b23b5562324296686dc9f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 145.88384604454041, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: dbabc169f14c6d07e27e48eb6cf95cae
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 142.85579395294189, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 94eecf4b8c26f59af4139f39d9345656
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 137.95459294319153, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: e600e1bcde5cacb6abc2d400c393b3af
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 134.50110816955566, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 147581160af021894dd9ee179649edc4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 130.56558990478516, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2678189debe0168cc8b4e55b628ddffa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1538.9578318595886, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 59da6ac1452b598ddeeecec79d777f64
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1957.6311609745026, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5c41531594605ac380796f2c042193cb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 46137.935945987701, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9671bc1567abcfb62e866493832e1530
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1472.571259021759, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 98b41670089a7d647e66bc36e46b659c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1883.3567781448364, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 710858fc6ac3e049bb435509918e07af
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1409.4672629833221, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 51649606dff9f126c44338efa31d2e6e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1397.1124839782715, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: d4e5a5205ee21a1243a91daa10e1d27d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 343 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1363.4979641437531, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9d0c19c98a05eeae185a4ac2fb6682c3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 19345.308754920959, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5f033cf00eabb541e61607895d261b92
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 13948.488948106766, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: acb3e295962beb8e1bfe723bcd193b89
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 4043.0015380382538, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: d825e47b231cfb3ca57f8044d0d04a40
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 16608.726140975952, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 590a07b1ee35f3843b403be690943c88
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3019.6731448173523, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 677668eb688456057e291d4c253d562d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 8361.191477060318, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: c22993babfc14ead86b00cb309d1bb59
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3742.3308629989624, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 820016856ba9389d7e8d2f365fc4bac5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3558.1530950069427, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 70148226f2f2188cd3f8e5a9127ad92a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2772.2378239631653, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9b43d14f1c0105b197fe18a0d4443c29
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 11046.881282806396, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3de286572ece08263c4376df0ff6194d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2262.8845300674438, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1e944d2a692ff993058daa553c3c532b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3821.0383059978485, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: bb17cc00e816da32d5e09f5134a5a1c6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3335.6013920307159, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4a50c02e874d70898e15436c3c72f097
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2741.9593598842621, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: bb5db14138d69d276256a3928a169240
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2195.0361790657043, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: c82ffae349dad6a7b3b23d13fba2e6a8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 117923.12930297852, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 74b68ebe192a13ddf5285fe918625ccd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 99595.496479034424, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2e9ef2e34a17f2335e1d9c6da49225c1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 158098.86364984512, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2678bd1bb3e07a25f23b80c110002de4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 62805.918496847153, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7b7cc6c5a62ff701b8d9383b984d6a62
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 55388.078063011169, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1c16e4b855aa4df4694aa8e34dc16ba8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 12229.733613967896, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: c5dacda266f41c56d9bb5cf8700454f8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 4903.7297689914703, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3f1dc29e8ae5409a03313ae2743190ac
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 5514.7894639968872, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: e6685a032d8a003415edeed6e5d777d7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 4854.0544822216034, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: eeb73e5e6f4012bfa73a1b7754fb699a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 29347.868205070496, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 93199d8b17d5503c63b694ac14dbf124
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 4740.3559770584106, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4a51e85a1d3141e07b95e61565a076ec
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 220218.15675401688, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3f831cf8481b0e9804313afbc18e9ad2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 38824.732753992081, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: af91bb42b48757d8b02c99ea05d5c6a9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 26159.536410093307, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: ae3ccba0946130de28d11ca0dad10713
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 5513.5802919864655, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8df4079f94a454af474f9695fa52256c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2989.085410118103, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: c8e2903e079a1d8be8442d64525ca0ec
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 150265.62788796425, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 90cca176997ea67660e793ca5c92ab42
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 132039.35213088989, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: 323941cd8ee28795077bf3408b7b7325
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 59170.023493766785, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: c51a06aa43d51bebb4c2024fc3779f20
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 53873.450101137161, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: d9719766621a40e9e8fbfc7609c59f68
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 160381.93727016449, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 96d80411fef25a0e7fd9859bfd9548e5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 20523.916656017303, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 22c583a76e44eea662179b4477605888
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 30475.733925104141, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6bd408f94e3d848bafdc10a126900551
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 15433.757008075714, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2822a009e3098b608578dce7b19c76fa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 8049.8776469230652, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: fe70e827cab2a98f010c2001370bca51
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 21498.481322050095, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: bd221b90e0a84615fbfb9d7ad18b09a2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 36623.90189909935, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: e58746c23f8180b5e387b683b04c6aef
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 344 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 10232.314173221588, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: fdeab587074b33b688223cefd9fa0566
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "default_initial_moment": 0.59999999999999998, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 99511.229986906052, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: d9b15a48faaec88fead578dbafc14b2d
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "default_initial_moment": 0.59999999999999998, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 19309.45632982254, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: cc29ae38aa905f328af1e5e051a04be4
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "default_initial_moment": 0.59999999999999998, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 115116.31912899017, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: ea5ce9b471949d22912c328ebcce4a70
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 494 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 77492.475147008896, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: f01ba4a12f65faa6c6be4335eb54cb72
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 494 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 83282.518707036972, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8d3bc2a75b7f9ae686df872cee9f1925
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 494 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 69486.277669906616, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 70cc9a6e36894fe55f849703e7873e86
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 494 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 99221.276546955109, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 49faec02782040896e84f8538e1781ac
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 26], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 16647.073847055435, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4d0e7ec0dfd91c32af987f9562282da7
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 26], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 12660.490623950958, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: d6e32acbfb429314bcf7175880e003d4
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 26], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 4996.0307319164276, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 13a8975d4c02e481d283da9e13e3e50d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 426 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2037.7772791385651, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 121ee754184ab44e4d06c2722c0f4296
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 426 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1132.9808909893036, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: dabd80f7a2bea903bda42f03874c7097
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 426 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 886.43107104301453, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: b095568745f9300742ad76e16d4fc4b8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 426 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 697.16445899009705, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: 38cf618a636e8a80a285774e03f430ef
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [36, 36, 36], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 5.0000000000000002e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Fe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3819.354954957962, "x": 0.92000000000000004, "basis_threshold": 5.0000000000000002e-05}


unique_id: 3d1678dd92c8335cbcba3af54be4e7e4
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [36, 36, 36], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 5.0000000000000002e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Fe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2539.5170431137085, "x": 0.94666666666666677, "basis_threshold": 5.0000000000000002e-05}


unique_id: 91062a540e2cefa2461c341121808f9d
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [36, 36, 36], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 5.0000000000000002e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Fe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2086.4794011116028, "x": 0.97333333333333338, "basis_threshold": 5.0000000000000002e-05}


unique_id: 49c93294ffb58f38ba84f5688b72ef55
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 429 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Fe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2098.3234369754791, "x": 1.0, "basis_threshold": 5.0000000000000002e-05}


unique_id: fb4b2ef23ec7f86a6cbda317d724a805
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 429 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Fe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2388.4841458797455, "x": 1.0266666666666668, "basis_threshold": 5.0000000000000002e-05}


unique_id: 1e439e6e506875d22435f12c72713368
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 429 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Fe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2352.8546831607819, "x": 1.0533333333333335, "basis_threshold": 5.0000000000000002e-05}


unique_id: a38f9bd8fbf7fb5980512b1e3938c990
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 429 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Fe", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1520.2499859333038, "x": 1.0800000000000001, "basis_threshold": 5.0000000000000002e-05}


unique_id: b70d2aa42916c6475ea2cbb90a76e2e2
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [46, 46, 24], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 42029.633337974548, "x": 0.92000000000000004, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8eaec6199b408bc2340ce3d50a7c16e4
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [46, 46, 24], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 19997.402672052383, "x": 0.94666666666666677, "basis_threshold": 1.0000000000000001e-05}


unique_id: ede94c02b90d04b0918dc536459d9d02
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [46, 46, 24], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1987.9712030887604, "x": 0.97333333333333338, "basis_threshold": 1.0000000000000001e-05}


unique_id: 78bb90ff6af35c6e2cc1d1141178d883
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 429 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1947.8552899360657, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 860da2fdb3c069c1ae3d86fc7ea5dcf5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 429 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1635.6378889083862, "x": 1.0266666666666668, "basis_threshold": 1.0000000000000001e-05}


unique_id: 90ba5ed7ad80289dfd809a434aebfd0f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 429 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 1278.9237661361694, "x": 1.0533333333333335, "basis_threshold": 1.0000000000000001e-05}


unique_id: 13b81fc1bb10535e15d0b7eeae4fe21b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 429 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 987.97347402572632, "x": 1.0800000000000001, "basis_threshold": 1.0000000000000001e-05}


unique_id: d4377b4ca389c67c4772b62ab8a4de64
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [36, 36, 36], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 5.0000000000000002e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0025000000000000001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 17078.495809078217, "x": 0.92000000000000004, "basis_threshold": 5.0000000000000002e-05}


unique_id: a23397429406f3f37193307b251a738a
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [36, 36, 36], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 5.0000000000000002e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0025000000000000001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 38504.477550029755, "x": 0.94666666666666677, "basis_threshold": 5.0000000000000002e-05}


unique_id: abe4a61982694def13c00d750f68378e
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [36, 36, 36], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 5.0000000000000002e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0025000000000000001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 3896.372936964035, "x": 0.97333333333333338, "basis_threshold": 5.0000000000000002e-05}


unique_id: 7b11b86bbab4df293523e133f60286a5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 445 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2482.4771120548248, "x": 1.0, "basis_threshold": 5.0000000000000002e-05}


unique_id: 3b40e450f30a75cfa5a5766dbe022106
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 445 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2775.8661799430847, "x": 1.0266666666666668, "basis_threshold": 5.0000000000000002e-05}


unique_id: 9ca3c5f50fc5cd6a9d43bc9cb5bd149a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 445 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2841.9692900180817, "x": 1.0533333333333335, "basis_threshold": 5.0000000000000002e-05}


unique_id: c63f831e519c94ccdfdd568010f1e881
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 445 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cr", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 2754.5889840126038, "x": 1.0800000000000001, "basis_threshold": 5.0000000000000002e-05}


unique_id: 752fcf6984f426f5b2ffa1a4510da8b2
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 5.0000000000000002e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0030000000000000001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 111637.31661605835, "x": 0.92000000000000004, "basis_threshold": 5.0000000000000002e-05}


unique_id: 5649089a60af81fb7de296c6ddb5146e
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 5.0000000000000002e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0030000000000000001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 92468.323612213135, "x": 0.94666666666666677, "basis_threshold": 5.0000000000000002e-05}


unique_id: e239b6ecd377cda8c657677eea3838e9
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.01, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 5.0000000000000002e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0030000000000000001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 13700.257191181183, "x": 0.97333333333333338, "basis_threshold": 5.0000000000000002e-05}


unique_id: be076d649540396d8970d43da0f71129
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 445 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 20735.558379888535, "x": 1.0, "basis_threshold": 5.0000000000000002e-05}


unique_id: 32ab0093d69fcf79f6bd18465ab7fc54
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 445 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 142973.60636401176, "x": 1.0266666666666668, "basis_threshold": 5.0000000000000002e-05}


unique_id: 49c71688f15624a07846416d01abaff5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 445 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 129024.55664992332, "x": 1.0533333333333335, "basis_threshold": 5.0000000000000002e-05}


unique_id: 4c813c8b8a430a70fd39d39e171de1b8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 445 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mn", "basis": "tier2", "relativistic": "none", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.92x1.08x7", "width": 0.01, "time": 112986.1951520443, "x": 1.0800000000000001, "basis_threshold": 5.0000000000000002e-05}


unique_id: 94a857cdb96c7727cafe4d5d0f408991
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [16, 28, 14], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "F", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 572.00189185142517, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: aaea427dc10d17fcbe82eb8ee7fe4833
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [16, 28, 14], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "F", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 552.04494380950928, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: f19347d77e53f795c46eb7ddf455e4b5
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [16, 28, 14], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "F", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 495.92038488388062, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 117f8732992b31a24a3d9896c6477953
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "F", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 483.75488495826721, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: fafd3843740573b6785439b3f6ba07dc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "F", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 466.42856979370117, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: e0e1ead92a1366b8835192d6d12a69b4
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [22, 22, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ne", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 96.798270225524902, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 309502406e80c653cad36fc052503a57
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [22, 22, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ne", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 93.712049007415771, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2f75ca1f0953ed1bf72850ad4f3d9ff5
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [22, 22, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ne", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 90.463611841201782, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: f50ad1582343935eda020e0a1d55b447
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ne", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 89.549822807312012, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 616bea9c2187f8649dd1ba1e43719382
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ne", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 84.104300022125244, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1aca21d0d4219796c7549204df1d6732
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [32, 32, 32], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Na", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 173.3829128742218, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6cc076e0f2fe66129a73d7f5e2e5c52c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [32, 32, 32], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Na", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 166.74027180671692, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 96076460680d5dafaeab24d090cc6ee2
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [32, 32, 32], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Na", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 160.79939985275269, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 410c090a9dc52c136cfb7cc784789199
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Na", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 154.09915900230408, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: b657bd23eb0f56160e408148738bf64d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Na", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 147.78096508979797, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 94b4ce5987a9d9929517f06c692602e7
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [36, 36, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mg", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 142.57748413085938, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 640aa1ff7a62e0a9f613fdafe8e96d11
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [36, 36, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mg", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 139.40336394309998, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 479d4921cd70775cf9634f3a3fcd1f11
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [36, 36, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mg", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 133.07784199714661, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8e0b92f64d913d208f198e5f665ef270
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mg", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 129.40669512748718, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: ceb7f516c96e9d215b6f5869c970cc07
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mg", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 123.03028082847595, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 36d31c86829acb97af35fc5baaf40c58
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Al", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 576.93994784355164, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 88640020ca1cc69a09b6526a6a1ab031
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Al", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 509.84818387031555, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 76852e46720afc8c9b8b328361110742
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Al", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 407.00791096687317, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: a2cec1280ddadd3d82875c0c9ce19f56
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Al", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 394.54482412338257, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: af717513b9e163e89ed9aea13ccb36f2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Al", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 415.0419499874115, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 23449cdb9a5aa467e4ab1bcebd5b6ffc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Si", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 206.39095783233643, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 26620e6a361a79294c50073d8ba2428d
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "H", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 62.290698051452637, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: fdf94f65aed9308959f4da4e6f0cba4d
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "H", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 59.941102981567383, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 847c7a42bb7d5f831822b9a1fe94069d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Si", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 203.05999898910522, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7bec58161c4f54627ed14f84fd4cdc2b
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "H", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 57.645699024200439, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: ce79c2fa08d19f3b14111521abbe214a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "H", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 55.665939092636108, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: f15c918230a5ac57b786d60d7709fc90
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "H", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 55.037760972976685, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 71cff827b242a5f476bee1474d2a9e5c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [40, 40, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "He", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 21.143141031265259, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: f4975925cdcce8a55620a7b8845fcbae
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [40, 40, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "He", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 12.484989166259766, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: a28a550d6fee3defd6b430aa732ab8d3
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [40, 40, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "He", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 19.215174198150635, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 85456c40a84b1c8be8b2ad7b957d72a7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Si", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 199.47184896469116, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: ba4e6481ab3206e720e8123a2556ac80
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "He", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 18.713904142379761, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3847ce09f761782b460bd27c3b04c3c9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "He", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 18.034945964813232, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: e787dc8773bfd553c9bb6dc55d608fe6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Si", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 190.54820704460144, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: cc0a9baa5f39f3012fd2e567d5ef988c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [38, 38, 38], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Li", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 232.83777785301208, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1b94b91d7209afadd586457b336a4351
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Si", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 185.86196303367615, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: c21ea417f13812eb7e746520cc0d64eb
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [38, 38, 38], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Li", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 179.0359320640564, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 368cd4bdc3574ec0e82fbf70d187bd0c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [52, 52, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Be", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 421.894770860672, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 183fe64d13b8281385d9761d095522ab
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [38, 38, 38], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Li", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 171.19856786727905, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 95acc06b52c1f1cdda72a5d7020822fb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Li", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 212.01378321647644, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: fed097920a45c4c3878e3f738fe1aab1
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [52, 52, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Be", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 396.02701711654663, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7f10926c0b7d31f40e992961f5b87261
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Li", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 207.26371216773987, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3520391cac69624092ff4f83bc15a801
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [52, 52, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Be", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 372.38203406333923, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6d8bc7de21e895f23da705aceffbe80b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Be", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 349.50191903114319, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 210b0cbe45ca7941b49a77e152d82227
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 8, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1599.7513380050659, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: c2bd72b6bed4bbe9d0cc4c057d91e11c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Be", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 378.18356990814209, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 17bf1f4b775c489c8a0b29573d0915c7
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [48, 48, 12], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "C", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 842.31526803970337, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: fa7ad77fcee9b83385b1d505b380a708
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 8, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1542.9522929191589, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 230a5a1985d68751f652a08d83931458
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [48, 48, 12], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "C", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 812.19605803489685, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: f9fe82ee217b4d38251041d013a671d0
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [48, 48, 12], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "C", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 720.14419507980347, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: a6d5ba10b488f556f1bc19476ae43f57
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 8, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1383.4063940048218, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 334b28546c24254c63958c7ad7895856
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "C", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 687.70736312866211, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9850b0fbf5c59f3e604e844ba533d87c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "C", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 601.10473585128784, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9bba5464a3de0b495dabee5a3f3abe6e
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [16, 16, 16], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "N", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 319.19404196739197, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 56388c65706f5aff0db632ff889d62a3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 379 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1328.0972030162811, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 584d64699780d179211cb8fe4e84e6fe
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [16, 16, 16], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "N", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 310.47833681106567, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8484b7057c698c74759e5187066c3028
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [16, 16, 16], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "N", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 298.71684885025024, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: a655886e5f9b4f377927bf2eab4722e6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "N", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 291.08395504951477, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5da97ef21a36d42ce0e07014d67d1e7b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "N", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 284.00663900375366, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1f155f5c6c238be81c9d14bf2dad3b06
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 379 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "P", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1287.7785677909851, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 637db5a144f0e09446fb4af93db4bcba
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "S", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 166.89352893829346, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 412659674f982322bb78e8de50658d8d
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "B", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 6662.9650869369507, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: c44931d3822455652568ca039ab49625
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 24, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "default_initial_moment": 0.0, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "O", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 636.53906297683716, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: a980afe974c43f8726fea1985b94d916
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "S", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 155.17496204376221, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: dfc8e54a3b1efc98bb1898516db085b7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "S", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 149.688157081604, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: c8c93adad5942ec76f021fa590e683ea
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "S", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 143.05066895484924, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 35c7c6f313212ad1d22a44b50f3e8ffc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "S", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 138.2695209980011, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: e727b537b8c662192cf349e976c71ea5
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 24, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "default_initial_moment": 0.0, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "O", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 615.20035910606384, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 28d106c30218641793aac995481868cf
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [12, 24, 12], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 715.76756000518799, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 916d10709e4e308d915db23aac858268
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 24, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "default_initial_moment": 0.0, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "O", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 595.06612491607666, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 673904fd698795cefb5ea4c692a5f7a0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 432 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "O", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 572.8883650302887, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 83604a3ba236cc890feb714afff237e5
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [12, 24, 12], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 699.34340906143188, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: c35953058ed2657fc9b5ed73a76a9e38
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 432 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "O", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 554.51814913749695, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 810f0fd8e4340e94106a77b66d01761c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ar", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 37.039377927780151, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 763104287e80f8ad4f3d655882db4407
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ar", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 35.988377094268799, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: a16cb5f8e86af992cb43fd1764c413dc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ar", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 35.15867805480957, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7b94a2bc879a8b221fa0a7d99cce5ad0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ar", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 34.407574892044067, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 53ec4f0530702713f970787bcad85b71
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ar", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 33.200160980224609, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: b9235e9cc518004344a9cfb36493760a
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [20, 20, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 54.23906397819519, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 199308d4343f69458fdf3d96cb21a012
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [12, 24, 12], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 685.67252016067505, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: b43b332e4883d53434544c7ed3343144
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [20, 20, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 51.073843002319336, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1180cc4e4f9f47ad93d5a36fd90d19c8
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [20, 20, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 48.219619989395142, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8c7fd16b58b27bb2599c9719b8c0077e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 46.224184036254883, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9c0ee3075773600ff78df822a302974c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "K", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 44.798392057418823, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1f1ea360e1085f6eba5ca271eb3743c9
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [18, 18, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 442.64959406852722, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: cead0f0952d43a6f4f361c915d7d2fdb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 661.27954196929932, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: e7d52e95914cfb9afc6ff473cdd0cc98
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [18, 18, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 408.66986012458801, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: cdff98548348ebc48c13fd8b891c6a6d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cl", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 647.38193511962891, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 34e3289cf4d530b9b504c1eb40507db8
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [18, 18, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 386.55715084075928, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: aa5e2bde31d6d5a074d01b8ce63f708a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 373.13436603546143, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8b4a47e67a6dc52d9dceb6b705835da6
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 601.93905997276306, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4261ae4eb4237a0d6e953e856497a0ca
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ca", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 359.91475510597229, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 40915d938dfbe21dc23d1c0ba5a54c3a
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 455.94480609893799, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 13217139334a5c2cfd2bc5a9fbdbbeca
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 433.5136399269104, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: ec44570fb0599e9b42470e333701bcfc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 453.60828995704651, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8d85502a2de16722744b51e7c4d50fd1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1200.1116290092468, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 10acd0be3191325d21c6cdcffed44b7c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "B", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 6352.3610379695892, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: bc102a3379eaba83deb637ba431c6b66
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sc", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 434.73698401451111, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: c15babdceda3907fe769b05bd384b1d7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1312.9875831604004, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1aa28f3bcefb52506875bb56d0e3f5c2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1382.5943508148193, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 13256d95465dcd1d08d43bce42e6c1bb
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 34], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3404.4948880672455, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: a64be6140d0c9efa908aae5fb06eda8b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1299.5806128978729, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2daaab800e6b2f856dd924f6f9fc7562
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ti", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1062.3422918319702, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: de6ddc8e64ddbd2eea0cfd796a9cd41c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "B", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 5722.6296019554138, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9445693d841b73665e804397a90aec2e
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 34], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3097.268951177597, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2ccb173ba2e4d68e7cddf076e90f22d2
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [34, 34, 34], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3015.4934990406036, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: f8cedaafa3535ac556956793bf136215
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "B", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 5543.1467370986938, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 207c5d38d16221961b3cbaa7091c8120
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2743.4644391536713, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 809d5a406f5e1e3ba66b638667b8c245
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "V", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2667.6598348617554, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: d87ec34adc9fe55e053f11d89519886a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "B", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 5393.9986271858215, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 184fa2cbd2ecb8dfc943d38b9af884c7
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [44, 44, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 808.57086586952209, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9ca215684cc54701646d22d50f94eb40
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 30], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 590.33225297927856, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: d3f37d4e7bc2510becd0feb2534fe7bf
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 30], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 565.93955588340759, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: c2633849aa69f83669e733ba2b5091bd
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [44, 44, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 706.90431094169617, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: fc561d3b8958a2abdd4d52bea94bc29b
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 442.56635308265686, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: bccadc9151017382a77f44ddf9a63972
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 30], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 554.16571593284607, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 93f71dccfc6d09ec7dd8cedcc7e05c15
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [44, 44, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 667.05625414848328, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 505aa46cfbab0242f5b7f62503384a22
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 470.03762698173523, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9755a8219cd31ccbc89a44b07848e8a6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 535.65510988235474, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4cad71ddc7380b0e3396c5e941c99f29
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 10], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1701.2834432125092, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9b3b16a99e1142a0fa08f7ec89bf51f8
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 454.30194997787476, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: dd527961f0a7a86ef0e08b91a39cc5c7
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3646.5988290309906, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 72dcf395927332eed45188955e0f803f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 635.44368100166321, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 19a63dcae8809d42033684387c4b6fdc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ge", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 524.50096487998962, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: aba173400e31aeb8e50c180c4e89aed9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 440.2219569683075, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 958cf6c755853583e009a73632bc218a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zn", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 611.29218101501465, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7ef67bd524506668dd5e41a87f398db6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Se", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 428.30202794075012, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: bb7ad933b7e2946526c3b3dfec91a0e9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 85.037451028823853, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 53a7d98a403db384bd9d8486f5e54139
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 56.272345066070557, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 42b3502e84844d8013dfd8fce7cdd516
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 83.029049873352051, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: ea4b14fdc8507024d1a2b5dced97f0e9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 43.80511999130249, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: b173833b0b8d39f9a0a496cba9de2395
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 47.044878959655762, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: d7b873d7e015bcddb110ec1a4a456ecb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 82.212622880935669, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: b08b78203775e57e1d2ac088685956af
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 40.828857898712158, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4aa4c72907decad6239913e53342b0c5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 38.72980785369873, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 990290b8d6e57846c365b85ce9aae412
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 81.3419349193573, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: c47d46c2a223eb3a7bd433c22d9102eb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Kr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 79.516790151596069, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7b2ed94ad795e54bc464e9683c08c7d9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 259.92933917045593, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2e780b97525f44728947c1a120ff7b65
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1028.5027148723602, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: bae0041b198aa1ea624ee6bc2997f6ab
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [32, 32, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 302.65392208099365, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5ca1a5a67b02cf8150f0f64006ddc639
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 10], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1633.2225608825684, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 90a448a5daacca9535c58c0145a50f67
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 241.62805891036987, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: f32d54d68b623d4d6ba98a9cbe83397f
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [32, 32, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 267.17445421218872, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 80c8b512c8b7f96ba8912478d879e6d5
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [22, 12, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 4395.5720181465149, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: c3ebd7f31c98b013443fb1a942748624
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 235.48632502555847, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 86c78005ad24c340e0625a4acb50c6e2
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [32, 32, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 281.9927179813385, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 27dec170189d9d824909302d327e5d95
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 227.27677917480469, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 56b10fe54eb56ede7f4045bf13d247a5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 243.50087213516235, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 86650676bbc05638d8179ecf9871c6f8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 277.28119492530823, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7eb662b819b4e2db96015cc53820df52
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 926.4620418548584, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: c041a22f93ffb378e79eb526702b5a9f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Y", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 294.05759811401367, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 510f6d960429273e611e1e8bffc1f083
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 10], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1573.8463368415833, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6f0b6f2fc3c38afe6471bb0f010ab73c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 904.01094198226929, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5acad908ae5cd532a1a69cf692532324
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1119.5323779582977, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: fc374bc0cf72b9ddac6027134ee40d5c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3483.5462429523468, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 154d7cab48cfa0f519dcf9167e7630a2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 885.29099488258362, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: dbf05c44d05ec0349aacba9b1fcbeea2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 945.93345594406128, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: b07ff5731cbed7c256ec973161c5650e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1538.5246379375458, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: eab22191cbc90726052fe7ff257e9142
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2307.5319030284882, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: e9d84d45a947f03d242157069b61a419
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Br", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 868.07069897651672, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: a9a644e27dcc75d5f726bd315979af69
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 847.54069519042969, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7737f168b8266d8480f88917dc463a02
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [22, 12, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 4222.8327691555023, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7d921931d3dbdbfd0788a680cfc05249
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 810.02461719512939, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3ca5595183e9f48da70f367f7249faf9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "As", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1478.5826938152313, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: f0e33f84009bdf456083c856cdcf3023
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2936.2672629356384, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8807952ccbfbad553bc356361720d0a9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Zr", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 720.10694289207458, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4f3179517801ff89f200759de98d3e96
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1865.7124719619751, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3df6b111b6bde26dde08a051411f2902
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2731.116219997406, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: f3be8f238717a2224e4a83c37e44770d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2251.5029258728027, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2906672f7b6466edaf39d8caafda716c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3037.9650149345398, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 76ea6e52bb75f082dcd9f2617a8d2193
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1997.1745660305023, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: d7e140386d7cbe61445c57c3357f7de5
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [22, 12, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3931.1140420436859, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: e5b5f86e5ea9222f26e9186de67fc651
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1601.0431618690491, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: fe54a3cfa1cba057356cdf93b6e6554b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Nb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1694.4403350353241, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 47c3a0d03249546ec3694d5dd05707d0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2695.9409990310669, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 86bb75e3cf79e4c3a91e0a7108c5493e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cu", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3035.8392951488495, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 30017e376913dfd3eb81caa918aa65b9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3832.0588548183441, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4033113caa120ebd66914a03758846c8
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 7402.9852509498596, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4bd9cd581c3830406fb9a93c2591b02c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1741.2449190616608, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7c05a88441a22a5cccc8f4d853be427e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2990.3119449615479, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: ea48242bcee88bdf5e9e27170e1eebc8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Mo", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2143.8593039512634, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: c9cf403cdeed8056ca6de22e02186eae
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ga", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3137.5828821659088, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3ed393c2cc9e1206691584aeffa76e4e
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [38, 38, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 689.9656548500061, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4b998308624a3dfbe18be0c2acbc8223
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 483.18034601211548, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: fad49dea412052379fa6a4f1558279b6
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [38, 38, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 669.15363788604736, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9f3fd39d57187cd05fe2c605da3dcff5
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 426.87402009963989, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: c485336001be93f0afaf13b65da092e4
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [30, 30, 20], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 447.04357409477234, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5ebf50f7bdde77c83143cfb8e25b44de
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [38, 38, 18], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 636.28955817222595, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: d773477b17ecd1943eb922204115df31
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2824.7572250366211, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: a1f4245334eaa5a8cd41943177b5a0d1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 432.38675999641418, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: f95ca62bfa9b460ccea964df9925d10b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 612.08425283432007, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 761258ca40811517f08606540d57fbb7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "In", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 415.07270884513855, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: a6c6071cb57882c1068c639b6f7fbdfd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cd", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 585.39568209648132, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: a3aa712b1adfd20c5a79dde902173fee
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 26], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 500.14196586608887, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: bfb83fd961c00808f3850ec4177e0e49
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 5855.5599319934845, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 701902ec43adde55d52b4aa882885c1c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 26], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 511.97610116004944, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8212e695ee6bab1328e4bbb65e813cec
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 26], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 467.41554617881775, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 96671d0b40ae2a31f24033e64b605d63
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2403.0013680458069, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 75a1a50d905b9a0119572875d258d117
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 442.68495988845825, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 77f32cc6500743ae6dcbcd531f37883f
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 8], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1543.5551640987396, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4f8c51e581f5a6a293131af3a7df1e11
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sn", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 396.6600170135498, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1dd315cac7e59038664653b435aceb24
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 16], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 513.58758902549744, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: f19ea6b945d3b78c07ddb1b9e665ed16
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 9834.9862341880798, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: f638ede93cac742c2833661024799bf8
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 16], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 505.11180901527405, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5e4ddf3aa8cd822d9ba4348af2962d71
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 8], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1500.6500079631805, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: e8cc9a6416c4180fc08d65d382ad7ff8
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 16], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 497.01914191246033, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: c5ccc505518e9b11240767bc7e19a7ca
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2216.1506640911102, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 566dc09d8cd2a8e5cc13ccaba8b8724f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 486.38840103149414, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 91c70e9903764c22f2a055e594a7f380
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Te", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 475.77675294876099, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: ab531ff4042c6f7a535d0cb45e66ab46
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [26, 26, 8], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1460.5792589187622, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 88c15e3659f589a615c84a7a83f9bccc
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 4122.1383280754089, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8d319f1201366e46157ec5f3a742f47d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ag", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1744.1800520420074, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 909b0f101d43e1b6b611fed761b510ac
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [14, 14, 14], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 88.900532960891724, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4e1540b97ddf9eca0fe6896821b50496
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [14, 14, 14], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 87.320713043212891, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3876452626983111ac66ff232aa46317
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [14, 14, 14], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 100.06879711151123, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 780d98890e089da3c8d30badca96f2cc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 98.872894048690796, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6028abc0b228095a099ab2616c90f272
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Xe", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 98.883765935897827, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9feefa5be5befe68e32d1fbe8f8a2945
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 379 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1416.7950851917267, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 641806d9f339a9616ffe5d7be39dbfa3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 93.038241863250732, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: b684e5436b80affc0c04bd86a3c2570a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 91.378448963165283, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5a8b011c27f8cdce660f7d97f952ea86
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 88.574323892593384, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6d1c2823b3cbe8284a565efbc7461771
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 87.121880054473877, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6aa41e03398e8e79219b750dab443a8b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Cs", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 85.170657157897949, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 98e43cb4de0f0e85bd0dcfc2e380729d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 667.09440112113953, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7de01761191eac6b5840d87a3c163f8f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 379 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Sb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1502.0138349533081, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1544d235e8aa4e38859b319db4f96f47
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 582.35460996627808, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2340ce0fb856214ede8367352208ba10
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 546.93897700309753, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 86d362dddbd0a28cd35a09634c82e797
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3587.1801209449768, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8091546558d7efb18c14ead755ecc458
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1159.9533579349518, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: bd1849c97c3ae90164bf86fb225edc4e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 518.69281888008118, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 839316e3806f88129ca69c865b312dbd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ba", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 443.20592403411865, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: d17ef44d13a81f1e0441ae95defc3140
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 6933.0030040740967, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: a73fb4d51ba5adaff25af5b91409026f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1161.5787990093231, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2637a6aaf666e5fc63db0d0a9206e525
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2378.7280299663544, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8180ce029158f3ae555408d9f99d1687
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1107.205060005188, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 92c3b5b0804012b1b67c9a1b4529c4f3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2217.9869070053101, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: becf71ac1dfb7d81a93949c8fb5cb0ee
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ru", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3497.2194471359253, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2f123da05f9d147335df6583bbee09c3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1082.1139938831329, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: ba716424fc21ae79fb99b763fe618e06
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1893.377888917923, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: e19d70e1a3f0e083ef4e5d378d80476f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3299.03706407547, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7ae2377f199b627d7dadd36a8bb5fcac
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Lu", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 945.38588714599609, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3a0cfaf0563e226f2f9103eab0c80069
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2087.6536889076233, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 27e44e7421dbb482fe044fea9afe2625
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1599.8867049217224, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: dbce98d461487262ecc04f51683d0bd4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1373.7998540401459, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 463e7b326cfd2596c7f589571106a4f6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1956.9885940551758, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: aa5a0b06993426c9493a0c15a5fc0da0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hf", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1314.2745261192322, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: c99e5b6d6d954a707ea1b396d69d20a9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3852.733414888382, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: c5b794819bce08955a9c678dd74f55a5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3820.3400900363922, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: ee414e93e285dabd85dc977d9880e905
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 7462.9944930076599, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 85fa8e2ef41dfa26247f181a68d8af01
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1858.185112953186, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: cc3532f98b1fc122f95d72e73ada2ffc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ta", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1680.5014209747314, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1a04ed64ec9a9e003e8e90df67902484
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3334.6956148147583, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8c53c37e95cd26f51d8df7874380d7e9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3481.0252110958099, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: b5aada4aa80823ffc4dd9efdfd20f3a1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3212.429083108902, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 78b8913f545875cbd99a398b3a99437f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3358.1032001972198, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2791943f18d69d7ab27184367810e444
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 6544.859922170639, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 62f425c8c46592d4eed024f0ecc84587
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 13608.881446123123, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 16403c106991a19838c8bec3b5fb54f3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "W", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3265.8881680965424, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 63afafd75ea112daa994e9f320dc2c42
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3220.8936059474945, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 866077a2d5cf33dffdebd6554942eac2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Os", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3089.9992990493774, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: ca1704e9a2e03a68fc02a1a07d9757e4
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 4633.2317080497742, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3566fdbf6a731d25ee8092fe6762a963
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rh", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 6764.8637161254883, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: e6e059bdc2325dab4ec06f7195a5e6bd
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 574.96238493919373, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 92db085ee163293a530be244ba76e619
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 466.96194291114807, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 688073b8f9e0c019a9fc392318acae9d
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 552.09995603561401, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 523340e37b383656ef4c93c346821532
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 454.13601589202881, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: ada843c5a7e8d67aa3fbe80878fba9fd
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 536.6339430809021, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: efefb5e29e4a9be83d38475a08cc3a76
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 441.15847587585449, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: a6aee0e979823efa4fb93138589486e1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 476.70851516723633, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1e58b5617b4df4f1220a9111a94c3105
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 426.81466317176819, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 42fe57e1c69b62da12f3ce477a3bf15c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 350.0633327960968, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3831580b2a7352872403fbb25ee9d5b3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 502.1065399646759, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6351fb982704e4fe659477f358990875
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1114.4772410392761, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4ce847d0e70245a572d57f2686169957
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 919.87031888961792, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 16dbe256792183a772006e45bc18d63a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 379 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2109.0340719223022, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 16dd86fc1cb70fab983349a1625abbcc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1070.3517389297485, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 960182529c0c606d7ffd7fe70ce777b2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1044.7186760902405, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4198675d8ed0b7940b7743a58dccb6f5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 379 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2070.4843709468842, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: b40ad19253b9f46e367e0b3eea878417
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1004.6627490520477, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 70caa0d686cfa9fd22c700371a8d6e73
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 379 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2025.6699199676514, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: f52a8724feb67cf54f1695e2eb6dd760
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 379 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1992.2784349918365, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8d4bc0da9519d330623ddf173c79b348
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 379 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1964.3558659553528, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 87f0c8259967fb9710b79812610726b8
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 22], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 19023.049335956573, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: a3955c154668c2f3611eb0d40958c472
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 36755.158708095551, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 16405e352bd982d7c16f630701a92b19
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 31681.701874017715, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: b370e10e65abe16925a39a3668ef53d5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 12728.133922100067, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5201d217f880545483c6dff13285561b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Re", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 10850.274755001068, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: a7a57315567b32999115e7bb51a6e259
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 88969.668638944626, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: baa9ffa48b0aaeabdb30c7e2ef6a31e4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 29266.988273143768, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: d75558393f30eb1f952e88f6c9b0f33f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 24991.38103890419, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4b30d5b08561770baae267d3d6911bc3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 35868.466231107712, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 766c35f42e23576d146a1d9cd4de5a8e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 62745.993890047073, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: d00917a3de2570314b6198f6a4561ce1
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [46, 46, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "default_initial_moment": 1.2, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 145267.56377601624, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: f7df4834df6c294685cf172b6a84826d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 10974.416057109833, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 689a2aa5cf143c90fbf3855ecf34a044
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 27000.504469871521, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: a5d0bcef59455f36c722b92bd849a2f6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 11593.327819108963, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 13b50100c239bbd2fe50882747730485
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pd", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 14506.918100118637, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: c838d593c0b90cb07d9741a4b302aa80
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 58299.319797039032, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2abbdf86bc98071876530d4bc2ab041f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 168073.73642301559, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7531c00f7275f7cac5cc67099670a2c5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 48460.578320026398, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: a93d319c26afe27d0eee0fdcfe32d6ba
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 18976.698702812195, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: fceab545c09682c9ea7811a465047e66
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 23744.994100093842, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: e734b848391c8b4f90601deba3a1661a
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [46, 46, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "default_initial_moment": 1.2, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 145365.22678494453, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: f16e10376d9b91f5105444677908d472
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 85559.263786077499, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2f64e2121805737584b1f26800bdf906
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 106904.95245814323, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: ae56b34374d9395a376599a757323b86
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [46, 46, 24], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "default_initial_moment": 1.2, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 127982.54070711136, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1fceebca0c2237ff69b2e1073e8fb11e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 49880.386122941971, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: a38dcab3aa52fecf18d9476c3fad9a14
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 380 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 28097.753271102905, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5433910eedebeaaa97f739c23a403208
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 432 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 137592.2681119442, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 4e6ee0beec597e1a2749e2d995f5d1bc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 432 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Co", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 224796.51976180077, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 87da7856b6e1067e1dcbe09f4d592797
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "default_initial_moment": 0.59999999999999998, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 61328.084379196167, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 7734f410acbe0d4e62c9dacac497852a
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "default_initial_moment": 0.59999999999999998, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 157181.25446605682, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2e76449616865bfed02a585a3eaf99c9
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [28, 28, 28], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "default_initial_moment": 0.59999999999999998, "spin": "collinear", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 114715.7150990963, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: ef023153bd99199069c720f569cb23cb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 530 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 108358.83618998528, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1584d2a83b7064e28bbbbc227bceacc7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 530 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ni", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 100728.07669901848, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 25fd47dc7d8359b36de3457badd66725
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 22], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 985.1337890625, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: eebc01b41f535946b67959aadc66ea68
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 22], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 953.94556307792664, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 16d8a2316ba0105afe0d156fec051891
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [42, 42, 22], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 911.20178198814392, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 5be43a8e270dc2564f700f01e18960ac
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 462 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 933.94555497169495, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: cdecadabe3c963de322f0e2d7c49f6b2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 462 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tc", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 937.87748599052429, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 860e437434c0d4721dc3cca0d244233c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [12, 22, 10], "charge_mix_param": 0.0050000000000000001, "sc_iter_limit": 2000, "KS_method": "elpa", "relativistic": ["zora", "scalar", 9.9999999999999998e-13], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_eev": 0.0050000000000000001, "override_relativity": true, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_rho": 0.0001}

key_value_pairs:
  {"kptdensity": 16.0, "name": "I", "basis": "tier2", "relativistic": 9.9999999999999998e-13, "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 340.04900789260864, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


