System = Ni2P-bulk NWRITE = 0 ISTART = 0 # default: ICHARGE = 2 # GGA = PE Electronic Relaxation ENCUT = 600 EDIFF = 0.1E-06 LREAL = Auto NELM = 100 Ionic relaxation EDIFFG = -0.02 IBRION = 2 NSW = 100 POTIM = 0.10 ISPIN = 2 MAGMOM = 6*1.5 3*0 Electronic relaxation 2 (details) ALGO = Fast ISMEAR = 1 SIGMA = 0.1 ISIF = 3 LORBIT = 11 NEDOS = 5001