[gpaw-users] external electrostatic field in slab

Jens Jørgen Mortensen jensj at fysik.dtu.dk
Wed Jan 12 12:13:14 CET 2011


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.

Jens Jørgen

> Thank you.
> --------------------------------------------------
> Duy Le
> PhD Student
> Department of Physics
> University of Central Florida.
> 
> "Men don't need hand to do things"
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