[Wien] Non-magnetic calculations

[Laurence Marks]

Sorry, but the other email response was not right.

run_lapw uses just the full density, no spin. Probably what you want to use.

runsp_c_lapw has the same density in the up/dn spins. It can be used to
include terms such as orbital corrections with a non-magnetic density (as
up=dn).

runsp_lapw is the most general for up different from dn.

run_lapw & runsp_c_lapw are similar, different from runsp_lapw, the later
being slower.

All version take both real (inversion) and complex (no inversion) cases.

You can get information by doing "run_X -h | more" with X the different
version.

---
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Partner of the CFW 100% gender equity project, www.cfw.org/100-percent
Co-Editor, Acta Cryst A

On Feb 27, 2016 05:17, "Dr. Komal Bapna" <komal.bapna at gmail.com> wrote:

> Dear Wien users
>
> I want to get the non-magnetic ground state of a system. I am not able to
> find if there is any difference between run_lapw and runsp_c_lapw commands.
> Which command I should use.
>
> Regards
>
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