   ISTART = 0; ICHARG = 2

 general:
   SYSTEM = clean Ni(100) surface
   ENCUT  = 270 
   ISMEAR =    2  ; SIGMA = 0.2
   ALGO= Fast
   EDIFF = 1E-6

 spin:
   ISPIN=2
   MAGMOM = 5*1

 dynamic:
   NSW   = 100
   POTIM = 0.8
   IBRION = 1
