[Pw_forum] anti-ferromagnetic calculations

[Padmaja Patnaik]

Dear All

For an anti-ferromagnetic calculation to run in QE which of the following way is more correct.
1. specify different values of starting magnetization for different atoms in the compound. I mean one positive and one negative value.

2. specifying the nelup and neldown.

Thanks and regards
Padmaja Patnaik

Research Scholar

Dept of Physics

IIT Bombay

Mumbai, India


      
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