[Pw_forum] wannier function

lan haiping lanhaiping at gmail.com
Tue Nov 23 18:27:20 CET 2010


no,
w90 can only run in serial mode.
yes, you can plot wannier function no matter it is insulator or metal.
but you should have a read over the definition  of  mlwfs for metals.

On Tue, Nov 23, 2010 at 11:13 AM, wumindt2 <wumindt2 at zju.edu.cn> wrote:

> Thanks.
> BTW, can wannier90.x run with MPI support?  And can it plot the wannier
> function
> of supercell structure with a defect?
>
> Cheers,
>
> Min Wu
> 2010-11-22
>
> >From: Jan Felix Binder <janfelix.binder at epfl.ch>
> >Reply-To:
> >To: wumindt2 <wumindt2 at zju.edu.cn>, PWSCF Forum <pw_forum at pwscf.org>
> >Subject: Re: [Pw_forum] wannier function
> >Date: Tue, 23 Nov 2010 09:54:03 +0100
> >
> >You should compile it individually. But you should use the same compiler.
> >
> >
> >
> >wumindt2 wrote:
> >> Dearl All,
> >>
> >> To incorporate wannier90 into PWSCF-4.2.1, do we need to copy
> >> pw2wannier90.f90 and wannier.f90
> >> from wannier90 to PWSCF directory, and recompile the PWSCF, or just
> >> compile PWSCF and wannier90 individually?
> >>
> >> Thanks for any help.
> >>
> >> With Best regards,
> >>
> >> Min Wu
> >> 2010-11-22
> >> ------------------------------------------------------------------------
> >>
> >> _______________________________________________
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> >> Pw_forum at pwscf.org
> >> http://www.democritos.it/mailman/listinfo/pw_forum
> >>
> >
> >
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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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