CAMd summer school 2016 participants, please read this page before you start working on the exercises.
The Python homepage.
The ASE homepage.
ASE’s What is Python? section.
The exercises are used in the course Electronic structure methods in materials physics, chemistry and biology.
Do these first…
Pick among them according to your interest. You can also look at the Tutorials.
- STM simulations
- Wannier Functions
- Density of states
- Band structure
- Vibrational modes of the H2O molecule
- Electron spin and magnetic structure
- Electron energy loss spectrum of silver
- G0W0 calculation of the band gap of silicon
- RPA calculation of the cohesive energy of Si
- DeltaCodesDFT - Comparing Solid State DFT Codes, Basis Sets and Potentials
- Plane wave mode and Stress tensor
- Calculation of optical spectra with TDDFT
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