SYSTEM = HOD @ Nickel

#Parameters

 ISTART     = 0
 ICHARG     = _icharg_
 ISYM       = 0
 ISPIN      = _ispin_             
 NELMDL     =-12
 SMASS      =-3
 LWAVE      =.FALSE.
 LCHARG     =_lcharg_
 PREC       = Accurate
 ALGO       = F
 ISMEAR     =-1
 SIGMA      = 0.1
 
 IBRION     = 0              ! md simulation
 NSW        = _nsw_ 
 POTIM      = 0.4

 ENCUT      = 350
 EDIFF      = 3e-07          ! SCF energy treshold (eV)
 NELM       = 200

#Functional

 GGA       = RP              ! Use the modified [0.32 RP + (1-0.32)PB]  exchange
 LUSE_VDW  =.TRUE.           ! Use the vdW correlation
 AGGAC     = 0.0000          ! Don't use the std GGA correlation 

#Parallelization

 KPAR = 1
 NPAR = 2