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  • in different directions and the following equation : EMAE = E[uvw] - Emin, with Emin the energy of the most stable spin orientation. More details are available
    2 KB (322 words) - 13:47, 14 November 2019
  • in different directions and the following equation : EMAE = E[uvw] - Emin, with Emin the energy of the most stable spin orientation. More details are available
    3 KB (423 words) - 07:13, 18 August 2020
  • EDIFFG = -2E-2 POTIM = 0.1 Electronic minimisation IALGO = 38 LWAVE = .TRUE. EMIN = -20.0 EMAX = 10.0 NEDOS = 1601 EFG Calculation LEFG = .TRUE. QUAD_EFG =
    4 KB (456 words) - 13:16, 14 November 2019
  • EDIFFG = -2E-2 POTIM = 0.1 Electronic minimisation IALGO = 38 LWAVE = .TRUE. EMIN = -20.0 EMAX = 10.0 NEDOS = 1601 EFG Calculation LEFG = .TRUE. QUAD_EFG =
    4 KB (535 words) - 13:15, 14 November 2019
  • WAVECAR from previous step is present NBANDS = 48 # number of bands used EMIN = -20 ; EMAX = 20 # smallest/largest energy included in calculation NEDOS
    14 KB (1,737 words) - 08:47, 14 November 2019
  • WAVECAR from previous step is present NBANDS = 48 # number of bands used EMIN = -20 ; EMAX = 20 # smallest/largest energy included in calculation NEDOS
    13 KB (1,576 words) - 12:42, 9 July 2018