[Pw_forum] problem with field

[zahra vatankhah]

Dear Shok,
what are the values for emaxpos and eopreg? Did you choose the default
value?

with regards,
Vatankhah

On Thu, Nov 29, 2012 at 11:38 PM, pari shok <parishok at gmail.com> wrote:

> Dear All,
> I am trying to study the impact of the electric field on an additional
> electron at the interface of Si/SiO2 structures.
> I used different field amplitudes, from 0.002 a.u. to 0.01.
> I used the sawtooth potential that changes the slope in the middle of SiO2.
> My concern is that neither the wavefunction, nor the internal total
> potential of the structure does not show the effect of that strong
> field.
> I was wondering whether anybody has any suggestion for me to improve
> my calculations.
> Thank you in advance.
> P Shok
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20121204/56d99878/attachment.html>