[Wien] k points quesion?

xiao.jianping at bccms.uni-bremen.de xiao.jianping at bccms.uni-bremen.de
Sun Jul 1 23:51:27 CEST 2012


Dear All,

Thanks a lot! I have used 2*2*2 k sampling in CRYSTAL code for IBZ
(including 32 atoms, semiconducter). For your experience, if this number
is basic sufficient for semiconducter? The property is converged already.
Where I can check the k point number in wien2k? The case.klist is for IBZ
or full BZ?

All the best
Jianping



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