[Pw_forum] Fermi-surface spin-polarization code ?

lan haiping lanhaiping at gmail.com
Thu Mar 20 08:26:16 CET 2008


why not take a look at src?
you can check fermi surface code at $QE/pwtool,
if i remember right, bands_FS.f is what you want !
Best

Hai-Ping

On Thu, Mar 20, 2008 at 3:03 PM, <r95222066 at ntu.edu.tw> wrote:

> Dear all,
>     One day I had found a message about new relase about Fermi
> surface spin-polarization code .
>
> Here is the message from Forum
>
> ----------------------------------------------------------------------------
> Dear Paolo,
> Dear users,
>
> I have re-written (in F90 style) the Fermi Surface
> (FS) plot program so that now FS calculations for
> spin polarized cases are allowed.
>
> Actually I removed a part of the program for bands
> structure calculations "Calc_Type=Bands". I think this
>
> one deserves its own script.
>
> Input remains the same except "Calc_Type" line removed
> now. I apply also re-written script for Ni where one
> can find FS calculations for magnetic and nonmagnetic
> Ni.
>
> Please update these files in the QE distribution.
>
> Bests,
> Eyvaz.
> P.S. I have seen my responsibility for the QHA staff.
> Mostly it is ready to use.
>
> ----------------------------------------------------------------------------
>
> I also see the PWscf website has a new release edition
> "espressocvs2.tar" (released 2008-03-11) Second pre-release of 4.0
> version (11-mar-08) - please test.
>
> My question is the Fermi surface spin-polarization code in the new
> released edition ?
>
> Thanks a lot !
>
>             Bing-Hong Chen,National Taiwan University ,Taiwan
>
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> Pw_forum at pwscf.org
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>



-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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