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ENCUT   = 500
IALGO=38
EDIFF   = 1E-4
PREC   = high

#ionic relax
EDIFFG=-0.03
NSW     = 150
IBRION  = 2
POTIM   = 0.2
NELMDL  = -8
ISIF    = 3
GGA = 91
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# DOS related values
ISMEAR = -5
SIGMA = 0.2
LORBT=1
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LCHARG  = .TRUE.
LWAVE   = .TRUE.     
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