Dear all we are facing the following trouble while optimization of spinel
compound.
ERROR status in OPT_vol__-2.0
> stop error
LAPW1 END
LAPW1 END
LAPW0 END
PS: We have did this calculation for -5 0 5 as well but found the same error
Kindly guide to overcome this problem.
Best wishes
-
Hi.I think this is due to the following factors:
- set RMT reduction to -1% and mixing factor to 0.1
my greetings **
Nacir GUECHI
Docteur en Physique du solide.Enseignant-Chercheur à l'université du Dr. Yahia
FARES de Médéa, Algeria (www.univ-m
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