constrained_magnetization='total' allows you to fix the magnetization vector. See example06 for more details.
HTH, Andrea On Wed, 2013-09-25 at 11:51 +0200, Julen Larrucea wrote: > Dear colleagues, > Does anybody know how to set precisely the occupations on a spin orbit > calculation (lspinorb=.true.)? > > I have tried to occupations='from_input' but it does not read the > minority spin line, and constrained- and tot_magnetization do not seem > to work either. > > > Thanks in advance > > > Julen > -- > Dr. Julen Larrucea > Postdoctoral researcher, > BCCMS, HMI Group, University of Bremen > Phone: +49 421 218 64582 > Fax: +49 421 218 64599 > http://www.larrucea.eu > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: dalcorso at sissa.it
