[Wien] Constrained DFT

karima Physique physique.karima at gmail.com
Sat Mar 3 02:35:23 CET 2018


Dear Prof. P. Blaha and Wien2k users:

When using the method described by Georg K. H. Madsen and Pavel Novak for
the calculation of Ueff, should we add the electrons of d-orbital in
case.inst file that we removed from the case.incup/dn file or we only
modify  case.incup/dn  .?.
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