Top network posts
- 30 Was Walter Kohn wrong about this?
- 25 How big should a supercell be in phonon calculations?
- 20 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?
- 15 What methods are available for excited state calculations in solids?
- 14 Is the original structure invalid if it's found later that the material crystallises with a slightly different space group symmetry?
- 13 How to understand time reversal symmetry in graphene
- 12 Why is the band gap of graphene "opened" in this VASP calculation?
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