[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
More information about the users
mailing list