[Pw_forum] Band structure of Diamagnetic system

[Paolo Giannozzi]

On Jul 18, 2012, at 8:29 , Abolore Musari wrote:

> Sir I want to ask that when calculating the band structure for a  
> diamagnetic system for example FeS2. Is it  necessary to include a  
> 'starting_magnetization="$value"

if you have the self-consistent charge density and you want to  
calculate bands,
you do not need to specify anything for "starting_magnetization": it  
will be ignored
anyway

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222