[Pw_forum] Bader and LOwdin analysis

[Ary Junior]

Hi, for Bader Analysis take a look at http://theory.cm.utexas.edu/bader/ ...
Before you need run pp.x to generate a .cube file...

[]s

Ary Junior

On Tue, May 11, 2010 at 3:36 PM, Giuseppe Mattioli <
giuseppe.mattioli at mlib.ism.cnr.it> wrote:

> dear Mohnish
> projwfc.x performs Lowdin analysis
>
> Giuseppe
>
> On Tuesday 11 May 2010 07:35:00 mohnish pandey wrote:
> > Dear QE users,
> >                             I want to do Bader and Lowdin analysis for
> thin
> > films of some materials. I was searching for some module in QE for the
> same
> > but I did'nt get it. Can somebody please tell me how can I do that
> analysis
> > using QE.
> > Thanks a lot in advance,
>
>
>
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-- 
Ary Rodrigues Ferreira Junior
Grupo de Físico-Química de Sólidos e Interfaces
Departamento de Química
Universidade Federal de Juiz de Fora
CEP 36036-330 Juiz de Fora - MG -Brazil
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