general:
 System = AuSi2
 ICHARG=11
 ISMEAR = 1; SIGMA = 0.2;
 ENMAX  =  350
 IBRION=2; ISIF=4 ; NSW=0
 NELM = 100
 EDIFF  = 0.1E-06
# EDIFFG = -0.001
 LREAL = .FALSE.
 ISYM = 0
 ISPIN = 1
 LORBIT = 11
 NPAR = 2
 LMAXMIX = 4
 PREC = Accurate
 LCORR = .TRUE.
 GGA = PS
# ALGO = Fast
# NWRITE = 0
 LWAVE  = .FALSE. 
 LCHARG = .FALSE.
