[Pw_forum] Fw : ev.x procedures

Duy Le ttduyle at gmail.com
Tue Feb 2 18:07:35 CET 2010


Hi Vicky,
Why don't you create a new email (instead of hitting Reply) with a NEW
SUBJECT so that your question won't crash other people's thread? I
really get frustrated when reading something which is not related to
the thread.

About your question: indeed you need to perform spin polarized AND
non-spin polarized calculation then compare the results.

--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



On Tue, Feb 2, 2010 at 11:11 AM, vicky singh <kirtinandan07 at gmail.com> wrote:
> hi
>
> if i studying any new system and i have no idea if the system is
> ferromagnetic or not how should i run my scf calculation. for eg Ni is
> ferromagnetic but if want to study alloy of Nickel should i still give spin
> and starting magnetization. please clarify my problem.
>
> vicky
> research student
>
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