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  • I_CONSTRAINED_M = 2 # size and direction M_CONSTR = 2 0 0 0 -2 0 6*0 LAMBDA = 1 RWIGS = 1.30 0.70 Orbital moment LORBMOM = T Mixer AMIX = 0.2 BMIX = 0.00001 AMIX_MAG
    2 KB (250 words) - 15:01, 14 November 2019
  • = 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 switched off (ISYM=0)
    5 KB (739 words) - 09:01, 14 November 2019
  • ------------- tot -0.030 -0.110 3.281 3.141 Using LORBIT=1 and changing RWIGS the total number of electrons within the spheres coud be adapted (nickel
    3 KB (597 words) - 13:55, 14 November 2019