[Wien] k-point sampling
Peter Blaha
pblaha at zeus.theochem.tuwien.ac.at
Mon Jun 28 16:14:52 CEST 2004
> Kgen may indeed change your lattice. Check out SRC_kgen/bravai.f to get an idea of what it's doing in your case.
I havn't checked this now, but what I remember is that bravai.f is still
present (and also called), but actually more or less NOT used !!!
(most variables (eg. symmetry operations,..) are reset to values from
case.struct,....)
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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