On Wed, 2015-05-20 at 12:09 -0500, J. D. Burton wrote: > Greetings, > > > > I want to artificially increase/decrease the effects of spin-orbit coupling > for pedagogical purposes (specifically, I want to artificially > increase/decrease magnetocrystalline anisotropy in a certain magnetic > system). Is it sufficient to simply alter the value of 'cau_fact' when > generating the fully-relativistic US-PPs using ld1.x? >
Presently the increase/decrease of spin-orbit coupling is not implemented. Changing cau_fact you increase/decrease all the relativistic effects, both spin-orbit and the scalar relativistic effects. HTH, Andrea > > > Thanks, > > J. D. > > > > > > ************************************ > > J. D. Burton, Ph.D. > > <mailto:jdburt...@gmail.com> jdburt...@gmail.com > > Research Assistant Professor > > University of Nebraska Lincoln > > Physics and Astronomy > > Office Ph. (402) 472 2499 > > Mobile Ph. (402) 419 9918 > > 310A Jorgensen Hall > > CV: <http://tinyurl.com/2avltsc> http://tinyurl.com/2avltsc > > ************************************ > > "The job of a scientist is to generate wrong ideas as fast as possible." > > -- Murray Gell-Mann > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@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: dalco...@sissa.it _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum