Dear WIEN developers and users:
[Questions]
Why wasn't the interstitial magnetic moment (MMINT) constrained to zero in
runafm_lapw calculations?
Is this a bug in runafm_lapw or something else?
[Symptoms]
- I am running wien2k_14.2 on a linux cluster with ifort_12.1.3 compiler plus
MKL.
- All
Seems your case.inclmcopy file is NOT correct.
In some cases the opposite can happen, namely that runsp yields a
ferrimagnetic state, but runafm must yield :MMTOT=0 (when the inclmcopy
file is correct).
However, I do not really understand your messages about MMI001=3 (it is
never integer
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