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  • 2 LDAUL = 2 -1 LDAUU = 5.00 0.00 LDAUJ = 0.00 0.00 LDAUPRINT = 2 LMAXMIX = 4 KPOINTS k-points 0 gamma 4 4 4 0 0 0 POSCAR
    2 KB (259 words) - 15:15, 14 March 2017
  • 2 LDAUL = 2 -1 LDAUU = 5.00 0.00 LDAUJ = 0.00 0.00 LDAUPRINT = 2 LMAXMIX = 4 KPOINTS k-points 0 gamma 4 4 4 0 0 0 POSCAR
    2 KB (257 words) - 11:08, 15 March 2017
  • LDAUTYPE = 2 LDAUL = 2 -1 LDAUU = 8.00 0.00 LDAUJ = 0.95 0.00 LDAUPRINT = 2 LMAXMIX = 4  ! Important: mix paw occupancies up to
    6 KB (1,249 words) - 11:12, 10 August 2017
  • 2 LDAUL = 2 -1 LDAUU = 5.00 0.00 LDAUJ = 0.00 0.00 LDAUPRINT = 2 LMAXMIX = 4 KPOINTS k-points 0 gamma 4 4 4 0 0 0 POSCAR
    3 KB (331 words) - 10:21, 20 September 2018
  • 2 LDAUL = 2 -1 LDAUU = 5.00 0.00 LDAUJ = 0.00 0.00 LDAUPRINT = 2 LMAXMIX = 4 KPOINTS k-points 0 gamma 4 4 4 0 0 0 POSCAR
    2 KB (306 words) - 10:34, 15 March 2017
  • 2 LDAUL = 2 -1 LDAUU = 5.00 0.00 LDAUJ = 0.00 0.00 LDAUPRINT = 2 LMAXMIX = 4 KPOINTS k-points 0 gamma 4 4 4 0 0 0 POSCAR
    3 KB (432 words) - 15:16, 14 March 2017
  • 2 LDAUL = 2 -1 LDAUU = 8.00 0.00 LDAUJ = 0.95 0.00 LDAUPRINT = 2 LMAXMIX = 4 KPOINTS k-points 0 gamma 4 4 4 0 0 0 POSCAR
    1 KB (158 words) - 11:12, 15 March 2017