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  • ENCUT = 270 ISMEAR = 1  ; SIGMA = 0.2 LORBIT = 11 ISPIN = 2 MAGMOM = 1 Initial charge-density from overlapping atoms in starting job. Default
    1 KB (232 words) - 13:21, 7 June 2019
  • noncollinear 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
    4 KB (637 words) - 11:12, 10 August 2017
  • monolayer ISTART = 0 ENCUT = 270.00 LNONCOLLINEAR = .TRUE. MAGMOM = 0.0 0.0 1.0 VOSKOWN = 1 LSORBIT = .TRUE. LMAXMIX
    2 KB (354 words) - 11:12, 10 August 2017
  • DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM = 2.0 -2.0 2*0 # AFM order # MAGMOM = 2.0 2.0 2*0 # FM order Mixer AMIX = 0
    1 KB (151 words) - 11:06, 15 March 2017
  • monolayer ISTART = 0 ENCUT = 270.00 LNONCOLLINEAR = .TRUE. MAGMOM = 0.0 0.0 3.0 VOSKOWN = 1 LSORBIT = .TRUE. LMAXMIX
    1 KB (219 words) - 11:12, 10 August 2017
  • = Fe dimer ISTART = 0 ISYM = 0 LNONCOLLINEAR = .TRUE. MAGMOM = 0 0 3 0 0 3 VOSKOWN = 1 LORBIT = 11 ! mix slowly
    5 KB (739 words) - 11:12, 10 August 2017
  • FALSE. DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM = 2.0 -2.0 2*0.0 # MAGMOM = 0 0 2 0 0 -2 6*0 # Including Spin-orbit # LSORBIT
    3 KB (432 words) - 15:16, 14 March 2017
  • NELMIN = 6 DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM = 2.0 -2.0 2*0.0 Mixer AMIX = 0.2 BMIX = 0.00001 AMIX_MAG
    1 KB (172 words) - 11:10, 15 March 2017
  • first! SYSTEM = fcc Ni ISMEAR = -5 LORBIT = 11 ISPIN = 2 MAGMOM = 1 ## Selects the HSE06 hybrid function #LHFCALC = .TRUE. ; HFSCREEN
    1 KB (168 words) - 13:23, 7 June 2019
  • DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM = 2.0 -2.0 2*0 # AFM conf. # MAGMOM = 2*2.0 2*0 # FM conf. Mixer AMIX = 0.2
    2 KB (306 words) - 10:34, 15 March 2017
  • crystal, we consider the second approach described in the SAXIS page. For the MAGMOM-tag, the total local magnetic moment is written according to the z direction
    3 KB (331 words) - 10:21, 20 September 2018
  • atoms in the basis (instead of 2). SYSTEM = NiO ISTART = 0 ISPIN = 2 MAGMOM = 2.0 -2.0 2*0 ENMAX = 250.0 EDIFF = 1E-3 ISMEAR = -5 AMIX
    2 KB (354 words) - 11:12, 10 August 2017
  • ENMAX = 270 ISMEAR = -5 ALGO = Normal spin: ISPIN = 2 MAGMOM = 5*1 LORBIT = 11 # lm and site decomposed DOS inside PAW spheres
    4 KB (602 words) - 13:35, 7 June 2019
  • NELMIN = 6 DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM = 2.0 -2.0 2*0.0 Mixer AMIX = 0.2 BMIX = 0.00001
    2 KB (257 words) - 11:08, 15 March 2017
  • 270 ISMEAR = 2 ; SIGMA = 0.2 ALGO = Normal spin: ISPIN = 2 MAGMOM = 5*1 LORBIT = 11 ICHARG=11: Read in charge density (1) and do not
    3 KB (455 words) - 18:43, 23 June 2019
  • ISMEAR = 2 ; SIGMA = 0.2 ALGO = Fast EDIFF = 1E-6 spin: ISPIN=2 MAGMOM = 5*1 dynamic: NSW = 100 POTIM = 0.8 IBRION = 1 Initial charge-density
    5 KB (798 words) - 13:35, 7 June 2019
  • 0 NELMIN = 6 DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM = 2.0 -2.0 2*0 Mixer AMIX = 0.2 BMIX = 0.00001 AMIX_MAG
    943 B (121 words) - 11:13, 15 March 2017
  • 5 0.5 1.5 1.5 1.5 SYSTEM = NiO ISTART = 0 ISPIN = 2 MAGMOM = 2.0 -2.0 2*0 ENMAX = 250.0 EDIFF = 1E-3 ISMEAR = -5
    6 KB (1,249 words) - 11:12, 10 August 2017
  • 0 NELMIN = 6 DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM = 2.0 -2.0 2*0 Mixer AMIX = 0.2 BMIX = 0.00001 AMIX_MAG
    1 KB (158 words) - 11:12, 15 March 2017
  • 0 ; ICHARG = 2 ENCUT = 270 ISMEAR = -5 LORBIT = 11 ISPIN = 2 MAGMOM = 1 k-points 0 Monkhorst Pack 11 11 11 0 0 0 The bash-script plotdos
    1 KB (204 words) - 07:02, 3 May 2017