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Q: How to obtain the electrical conductivity tensor of a crystal “ab initio”?

SFriendlyLet’s assume that a crystal has been calculated by Hartree–Fock (HF) method (or DFT one), i.d., so to speak, the “first characteristics”, which are eigenvalues and eigenvectors, as well as Fock matrix on a final step of iteration, have been done. Are the following statements right? Using these f...

 

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