ISMEAR = 0 ; SIGMA = 0.05 NBANDS = 4352 ALGO = ACFDTR MAXMEM = 11500 NOMEGA = 12 ENCUT = 830 ENCUTGW = 553 ENCUTGWSOFT = 553 ISPIN = 2 LWAVE = .FALSE. PRECFOCK = Normal LMAXFOCK = 6 LMAXFOCKAE = 6 NUPDOWN = 0 MAGMOM = 1.5 -1.5 0.0 0.0 0.0