SYSTEM = Fe
NPAR = 8 
ISTART  = 0        start over
 
Electronic relaxation 1
ENCUT   = 600
EDIFF   = 1e-6
EDIFFG  = 1e-5
ISIF    = 3        Relax Ions
PSTRESS = 0
IBRION  = 2
NSW     = 50       Allow up to 20 steps
IALGO   = 48
PREC    = High
LREAL   = F

 NBLOCK =      1;   KBLOCK =      1    inner block; outer block
 LORBIT = 11

 ISPIN   = 2
 ISPIND  = 2
 MAGMOM  = 4*3
 VOSKOWN = 1

 ISMEAR = 1 ; SIGMA = 0.1
