[Pw_forum] scaling spin-orbit coupling

[J. D. Burton]

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:jdburton1 at gmail.com> jdburton1 at 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

 

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