ISMEAR = 0 ; SIGMA = 0.05 ALGO = All NCORE = 8 KPAR = 4 EDIFF = 1E-7 NELM = 2000 LHFCALC = .TRUE. ; AEXX = 0.25 ; HFSCREEN = 0.3 ENCUT = 830 ISPIN = 2 LORBIT = 11 NEDOS = 1001 LMAXFOCK = 6 LASPH = .TRUE. LMAXTAU = 8 LMAXMIX = 6 MAGMOM = 1.5 -1.5 0.0 0.0 0.0 NUPDOWN = 0