SYSTEM = AB_6ClLi    
#NSW = 500
 NSW = 1
 NELM=100
 NELMIN=8
#GGA=PS
 LREAL = A
#IALGO = 48
 ALGO =  Fast    # Normal, Fast, VeryFast (IALGO=48)
 ISMEAR = 0
#SIGMA = 0.04
 IBRION = 2
#IBRION = 5      # freq. calc
#IBRION = 6      el. const. calc.
#LVDW=.TRUE.
#IBRION = 1
 ISIF = 2         #const. cell and volume, opt.ions
#ISIF = 3         #opt cell shape and volume and ions together with IBRION =6
#ISIF = 4         # opt cell shape and ions at const. volume
#ISIF = 7         # opt cell volume - fixed shape and ion pos.
ISYM=0      (symmetry switched off)
NSIM = 1
# ENCUT=300
 ENCUT=400
#PREC=Accurate
  PREC=Medium
# EDIFF = 1E-2
# EDIFFG = -0.03
#EDIFF = 1E-5
#EDIFFG = -0.015
IVDW=12
NCORE=4
LORBIT=11
