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laplacetalor

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INCAR
#Start parameter
ISTART = 0
ICHARG = 2
ISPIN = 2
PREC = Accurate
NBANDS = 30

#Electronic Relaxation
EDIFF = 1E-6
NELM = 100
ALGO = Fast  VeryFast  Normal
LREAL=FALSE
NELMDL=-8
SYMPREC=1E-6
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AMIN=0.1
AMIX=0.2
AMIX_MAG=0.8
BMIX=0.0001
BMIX_MAG=0.0001

#Ionic relaxation
IBRION = 1
POTIM=0.1
NSW = 200
ISIF = 3
ENCUT = 333

#DOS paramater
ISMEAR = 1
SIGMA = 0.2
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