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? Thanks, J. D. ************************************ J. D. Burton, Ph.D. <mailto:[email protected]> [email protected] 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 [email protected] http://pwscf.org/mailman/listinfo/pw_forum
