= .TRUE. LDAUTYPE = 2 LDAUL = 2 -1 LDAUU = 5.00 0.00 LDAUJ = 0.00 0.00 LDAUPRINT = 1 LMAXMIX = 4 KPOINTS k-points 0 gamma 4 4 4 0 0 0 POSCAR NiO 4.17 1...
2 KB (248 words) - 08:48, 11 April 2023
= .TRUE. LDAUTYPE = 2 LDAUL = 2 -1 LDAUU = 5.00 0.00 LDAUJ = 0.00 0.00 LDAUPRINT = 1 LMAXMIX = 4 KPOINTS k-points 0 gamma 4 4 4 0 0 0 POSCAR NiO 4.17 1...
2 KB (264 words) - 08:49, 11 April 2023
= .TRUE. LDAUTYPE = 2 LDAUL = 2 -1 LDAUU = 5.00 0.00 LDAUJ = 0.00 0.00 LDAUPRINT = 1 LMAXMIX = 4 KPOINTS k-points 0 gamma 4 4 4 0 0 0 POSCAR NiO 4.17 1...
2 KB (343 words) - 08:48, 11 April 2023
= .TRUE. LDAUTYPE = 2 LDAUL = 2 -1 LDAUU = 5.00 0.00 LDAUJ = 0.00 0.00 LDAUPRINT = 1 LMAXMIX = 4 KPOINTS k-points 0 gamma 4 4 4 0 0 0 POSCAR NiO 4.17 1...
2 KB (297 words) - 08:48, 11 April 2023
= .TRUE. LDAUTYPE = 2 LDAUL = 2 -1 LDAUU = 5.00 0.00 LDAUJ = 0.00 0.00 LDAUPRINT = 1 LMAXMIX = 4 KPOINTS k-points 0 gamma 4 4 4 0 0 0 POSCAR NiO 4.17 1...
3 KB (444 words) - 08:48, 11 April 2023
= .TRUE. LDAUTYPE = 2 LDAUL = 2 -1 LDAUU = 8.00 0.00 LDAUJ = 0.95 0.00 LDAUPRINT = 1 LMAXMIX = 4 ! Important: mix paw occupancies up to L=4 Switching on...
6 KB (1,250 words) - 08:49, 11 April 2023
