[Wien] metal or semiconductor

Wien2k User wien2k.user at gmail.com
Fri Aug 9 13:37:23 CEST 2019


 I think you have not read my message well because I asked a single
question that is very precise (so I know what I want to have as an answer)
I speak about two different behaviors that were obtained by two approaches
(GGA+U and (GGA+U) mBJ)
for Nb or Nd, I already mentioned that it is a mistake because the compound
is based on Nb
thank you for your contribution,
I think that Prof. Blaha has already explained everything.
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