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  • GGA_COMPAT = .FALSE. DOS ISMEAR = -5 Magnetism ISPIN = 2 I_CONSTRAINED_M = 1 # direction # I_CONSTRAINED_M = 2 # size and direction M_CONSTR = 2 0 0 0 -2 0 6*0...
    2 KB (264 words) - 08:49, 11 April 2023
  • AMIX = 0.1 # BMIX = 0.00001 # AMIX_MAG = 0.2 # BMIX_MAG = 0.00001 # I_CONSTRAINED_M = 1 # RWIGS = 1.0 # LAMBDA = 10 # M_CONSTR = 0 0 1 0 0 1 Symmetry is...
    5 KB (739 words) - 09:01, 14 November 2019