---------------------------------------------------------- Non-self-consistent RPA correlation energy ---------------------------------------------------------- Started at: Fri Aug 15 17:47:53 2014 Atoms : Si Ground state XC functional : PBE Valence electrons : 4 Number of bands : 9315 Number of spins : 2 Number of k-points : 1 Number of irreducible k-points : 1 Number of q-points : 1 Number of irreducible q-points : 1 q: [0.0000 0.0000 0.0000] - weight: 1.000 ---------------------------------------------------------- ---------------------------------------------------------- Analytical coupling constant integration Frequencies Gauss-Legendre integration with 16 frequency points Transformed from [0,oo] to [0,1] using e^[-aw^(1/B)] Highest frequency point at 800.0 eV and B=2.0 Parallelization Total number of CPUs : 4 Frequency decomposition : 1 K-point/band decomposition : 4 Response function bands : Equal to number of plane waves Plane wave cutoffs (eV) : 131 163 204 256 320 400 # 0 - 17:49:35 q = [0.000 0.000 0.000] E_cut = 131 eV / Bands = 1743: E_c(q) = -4.322/-4.291/-4.291 eV E_cut = 163 eV / Bands = 2469: E_c(q) = -4.395/-4.365/-4.365 eV E_cut = 204 eV / Bands = 3407: E_c(q) = -4.443/-4.413/-4.413 eV E_cut = 256 eV / Bands = 4729: E_c(q) = -4.479/-4.448/-4.448 eV E_cut = 320 eV / Bands = 6667: E_c(q) = -4.506/-4.476/-4.476 eV E_cut = 400 eV / Bands = 9315: E_c(q) = -4.525/-4.495/-4.495 eV ========================================================== Total correlation energy: 131: -4.3015 eV 164: -4.3750 eV 205: -4.4229 eV 256: -4.4585 eV 320: -4.4861 eV 400: -4.5050 eV Extrapolated energies: 131 - 164: -4.560 eV 164 - 205: -4.544 eV 205 - 256: -4.548 eV 256 - 320: -4.556 eV 320 - 400: -4.553 eV Calculation completed at: Sat Aug 16 03:32:40 2014