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ISPIN   = 1
GGA     = pe
ISMEAR  = 0
SIGMA   = 0.01
ENCUT   = 400
NBANDS  = 48

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IBRION  = -1

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ALGO      = CHI
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LSPECTRAL = .FALSE.
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2Â¥: Originally posted by liqizuiyang at 2013-09-23 17:39:32
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