All requests for technical support from the VASP group must be addressed to: vasp.materialphysik@univie.ac.at

Search results

From Vaspwiki
Jump to: navigation, search

  • EDIFF = 1E-5 LORBIT = 11 LREAL = .False. ISTART = 0 NELMIN = 6 DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM
    1 KB (172 words) - 11:10, 15 March 2017
  • EDIFF = 1E-5 LORBIT = 11 LREAL = .False. ISTART = 0 NELMIN = 6 DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM
    1 KB (151 words) - 11:06, 15 March 2017
  • EDIFF = 1E-5 LORBIT = 11 LREAL = .False. ISTART = 0 NELMIN = 6 DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM
    2 KB (257 words) - 11:08, 15 March 2017
  • algorithm POTIM = 0.5 NSW = 20 EDIFFG = -0.01 # max forces: 0.1eV/AA NELMIN = 5 # at least 5 el. scf steps for each ionic step KPOINTS
    14 KB (2,125 words) - 22:44, 22 June 2019
  • 1E-5 LORBIT = 11 LREAL = .False. ISYM = -1 NELMIN = 6 LSORBIT = .True. GGA_COMPAT = .FALSE. DOS
    2 KB (259 words) - 15:15, 14 March 2017
  • LORBIT = 11 LREAL = .False. ISTART = 0 ISYM = 0 NELMIN = 6 DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM
    2 KB (306 words) - 10:34, 15 March 2017
  • LORBIT = 11 LREAL = .False. ISTART = 0 ISYM = -1 NELMIN = 6 LSORBIT = .True. LWAVE = .False. LCHARG = .False.
    3 KB (331 words) - 10:21, 20 September 2018
  • 1E-7 LORBIT = 11 LREAL = .False. ISYM = -1 NELMIN = 6 # ICHARG = 11 # LCHARG = .FALSE. # LWAVE = .FALSE.
    3 KB (432 words) - 15:16, 14 March 2017
  • # no symmetry NELMIN = 4 # minimum 4 steps per time step, avoid breaking
    8 KB (982 words) - 15:27, 11 June 2019
  • 300 EDIFF = 1E-4 LORBIT = 11 LREAL = .False. ISTART = 0 NELMIN = 6 DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM =
    943 B (121 words) - 11:13, 15 March 2017
  • 300 EDIFF = 1E-4 LORBIT = 11 LREAL = .False. ISTART = 0 NELMIN = 6 DOS ISMEAR = -5 Magnetism ISPIN = 2 MAGMOM =
    1 KB (158 words) - 11:12, 15 March 2017