[Pw_forum] noncolin

Paolo Giannozzi paolo.giannozzi at uniud.it
Tue Jun 11 12:16:20 CEST 2013


On Tue, 2013-06-11 at 13:47 +0430, zahra vatankhah wrote:

> Is there any option to calculate DOSup and DOSdw when
> noncolin=.true. ?

no, because `"up" and "down" are meaningful only for LSDA,
not in the noncolinear case 

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




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