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SYSTEM = Ti2CrSn
ENCUT = 400
ISTART = 0
ICHARG = 2
ISMEAR = -5
SIGMA = 0.1
LORBIT= 11
IALGO=48    algorithm
#ALGO=Fast
#GGA_COMPAT=.F.
PREC = Accurate
#NGX=40
#NGY=40
#NGZ=40
NPAR=2
ISPIN=2
MAGMOM=52*2 14*-2 14*3 12*0.3 12*0.3
NELM = 200
NELMIN =2
EDIFF = 1E-3
LREAL = Auto
LCHARG = .T.
LWAVE = .T.
GGA = PE
POTIM = 0.1
#LUSE_VDW=.T.
#AGGAC=0.000
#GGA=ML
#Zab_vdw=-1.886
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