[QE-users] Feo unit sell relax

VISHVA JEET ANAND 2021rcy9020 at mnit.ac.in
Wed May 15 13:28:44 CEST 2024


Dear Users
I try to relax the FeO unit cell but I face a problem that is attached here
in the output file and I also attached the input file.
In the input file are no. of atoms right with ibrav value? In input i am
using angstrom atomic position exactly at the same position as crystal.
Please help to resolve this problem.

-- 
With Regards
Vishva Jeet Anand
Research Scholar
Department of Chemistry
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