[gpaw-users] Fwd: external electrostatic field in slab

[Michael Walter]

---------- Forwarded message ----------
From: Michael Walter <Michael.Walter at fmf.uni-freiburg.de>
Date: 2011/1/12
Subject: Re: [gpaw-users] external electrostatic field in slab
To: Jens Jørgen Mortensen <jensj at fysik.dtu.dk>




2011/1/12 Jens Jørgen Mortensen <jensj at fysik.dtu.dk>

On Mon, 2011-01-10 at 19:28 -0500, Duy Le wrote:
> > Dear all,
> >
> > Is it possible to add external electrostatic field in gpaw
> > calculation? I check the code and see that by adding
> > external=ConstantElectricField(efield) this job could be done.
> > However, since there is no documentation about this, I wonder the
> > availability of this method in gpaw, is it usable?
>
> I don't know.  Here are two tests that use ConstantElectricField:
>
>
> https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/gpaw/test/constant_electric_field.py
>
> https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/gpaw/test/stark_shift.py
>
> Give it a try and check your results carefully.
>

I would say: it works.

The recommendation "check your results carefully" is very appropriate in a
general sense however.

Best,
Michael


>
> Jens Jørgen
>
> > Thank you.
> > --------------------------------------------------
> > Duy Le
> > PhD Student
> > Department of Physics
> > University of Central Florida.
> >
> > "Men don't need hand to do things"
> > _______________________________________________
> > gpaw-users mailing list
> > gpaw-users at listserv.fysik.dtu.dk
> > https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
>
> _______________________________________________
> gpaw-users mailing list
> gpaw-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users




-- 
------------------------------------------
Michael Walter
Address: Freiburger Materialforschungszentrum
         Stefan-Meier-Straße 21
         D-79104 Freiburg i. Br.
         Germany
Tel.: +49 761 203 4758 and +49 761 203 7695
Fax: +49 761 203 4701
email: Michael.Walter at fmf.uni-freiburg.de
www: http://omnibus.uni-freiburg.de/~mw767<http://omnibus.uni-freiburg.de/%7Emw767>




-- 
------------------------------------------
Michael Walter
Address: Freiburger Materialforschungszentrum
         Stefan-Meier-Straße 21
         D-79104 Freiburg i. Br.
         Germany
Tel.: +49 761 203 4758 and +49 761 203 7695
Fax: +49 761 203 4701
email: Michael.Walter at fmf.uni-freiburg.de
www: http://omnibus.uni-freiburg.de/~mw767
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20110112/8a2711d5/attachment.html