[QE-users] N2 unit cell

VISHVA JEET ANAND 2021rcy9020 at mnit.ac.in
Mon May 20 08:24:59 CEST 2024


Dear users
I have two quick queries, first can we relax
N2 (diatom) unit cell in QE and second is I attached here my input and
output file of the N2 unit cell please check these files. In the
magnetization calculation I got 10.51 bohr /unit cell but N2 should have
0.0 magnetization.

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