Top network posts
- 32 Was Walter Kohn wrong about this?
- 27 How big should a supercell be in phonon calculations?
- 21 Given that Kohn-Sham DFT is strictly a ground-state method (at 0 K), how is it sufficient to describe materials in real-life applications?
- 18 What methods are available for excited state calculations in solids?
- 15 What does it mean to say a material is 'anharmonic'?
- 15 Is the original structure invalid if it's found later that the material crystallises with a slightly different space group symmetry?
- 14 Are there differences in accuracy and reliability between the frozen phonon method and Density Functional Perturbation Theory?
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