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  • .00000 .00000 SYSTEM = Ni (100) monolayer ISTART = 0 ENCUT = 270.00 LNONCOLLINEAR = .TRUE. MAGMOM = 0.0 0.0 1.0 VOSKOWN = 1 LSORBIT = .TRUE. LMAXMIX =
    2 KB (349 words) - 14:18, 14 November 2019
  • .00000 .00000 SYSTEM = Fe (100) monolayer ISTART = 0 ENCUT = 270.00 LNONCOLLINEAR = .TRUE. MAGMOM = 0.0 0.0 3.0 VOSKOWN = 1 LSORBIT = .TRUE. LMAXMIX =
    1 KB (214 words) - 14:18, 14 November 2019
  • 3.00 0.00 0.00 5.00 0.00 0.00 SYSTEM = Fe dimer ISTART = 0 ISYM = 0 LNONCOLLINEAR = .TRUE. MAGMOM = 0 0 3 0 0 3 VOSKOWN = 1 LORBIT = 11 ! mix slowly when
    5 KB (739 words) - 09:01, 14 November 2019
  • calculation replace ISPIN=2 and MAGMOM=1.0 in the INCAR file by the following: LNONCOLLINEAR = .TRUE. MAGMOM = 0.0 0.0 1.0 The last three lines of the OSZICAR file
    4 KB (636 words) - 09:29, 16 January 2020