[Wien] Non-magnetic calculations

[Dr. K. C. Bhamu]

Thank you Prof Marks
I updated my concept now.

regards
Bhamu
On 27-Feb-2016 6:49 pm, "Laurence Marks" <laurence.marks at gmail.com> wrote:

> 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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