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3Â¥: Originally posted by ǰÌïÇì´Î at 2015-08-25 08:46:38
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ISMEAR = 0
SIGMA = 0.05
NELM = 300

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! ISIF = 2
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LCHARG = F

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  LDAUL = 2 -1
  LDAUU = 5 0
  LDAUJ = 0 0

AMIX = 0.3
BMIX = 0.0001
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