[Pw_forum] Doubt in magnetic behaviour

[Padmaja Patnaik]

Thanks for your suggestion.

I have another querry, while performing scf calculations for a semiconductor to which a transition metal has been added,  which occupations should be used, fixed or smearing?

Thanks in advance
Regards


Padmaja Patnaik

Research Scholar

Dept of Physics

IIT Bombay

Mumbai, India


      
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