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general:
System = Crystal Si cell
ISTART = 0 ; ICHARG=11 #×ÔÇ¢¼ÆËã ICHARG=2; ·Ç×ÔÇ¢¼ÆËã ICHARG=11
PREC=Accurate
ENCUT=320
ISMEAR = 0; SIGMA = 0.1
IALGO  =  48
GGA=91
ISPIN=2
VOSKOWN = 1
AMIX=0.2
BMIX=0.0001
AMIX_MAG=0.8
BMIX_MAG=0.0001
MAGMOM= 8*0
LREAL  =  .FALSE. #option for system contain less than 20 atoms
NPAR  =  1
LWAVE  = .F.
LORBIT = 1        #·Ç×ÔÇ¢¼ÆËãÑ¡Ï¼ÆËãspd·Ö²¨Ì¬ÃܶÈ
RWIGS  = 1.312

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