[Pw_forum] doubt in starting magnetization variable

Paolo Giannozzi giannozz at democritos.it
Fri Feb 11 22:44:10 CET 2011


On Feb 11, 2011, at 13:13 , Padmaja Patnaik wrote:

> for calculating the density of states is it correct to mention only  
> nspin = 2 in the input?
> Or do I have to mention the same (same as the scf input) starting  
> magnetization values in DOS input also?

I think starting_magnetization is ignored in all non-scf calculations

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







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