It could be, that symmetry was broken due to magnetization and the number of
non-equivalent atoms changed.
Then it could be that an atom (with mult=2) was broken up into 2 atoms (with
mult=1)
and you have to adapt the lines in case.inorb/indmc.
Am 31.07.2012 13:41, schrieb Kateryna Foyevtsova:
Dear wien2k developers,
while running initso_lapw, the following suggestion appears in the end:
Please adapt case.indm(c) manually and copy it to case.indmc
Please adapt case.inorb manually
Could you please hint what exactly kind of adaptations in case.indm and
case.inorb is meant here?
Thanks a lot!
Best regards,
Kateryna Foyevtsova
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