[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.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
More information about the users
mailing list