[Wien] metal or semiconductor
Wien2k User
wien2k.user at gmail.com
Wed Aug 7 19:21:29 CEST 2019
Dear Wien2k users;
after GGA+U+SOC calculation, I found that the studied material is a metal
( even for a large value of Ueff ) but when I redid another calculation
with mBJ based on GGA+U+SOC {mbj(GGA+U+SOC)}, I found a semiconductor.
Which of these two behaviors is the most correct?
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