[QE-users] AFM configuration in Quantum Espresso

Ruchika Mahajan ruchikamahajan66 at gmail.com
Sat Jul 21 09:07:45 CEST 2018


Dear all,


               I am working on Mno2 material using Density Functional
Theory.  I want to perform AFM configuration using Quantum Espresso. I did
not understand how to do it in QE. Also how to give magnetic moment to each
and indivisual atoms in QE.  I have searched alot but did not find solution
or may be did not understand. Kindly help me so that I can take my work
forward.

             Thanks in advance for your help!


Yours sincerely,

Ruchika Mahajan
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