[Pw_forum] external electric field
baroni at sissa.it
Tue Jul 8 08:06:22 CEST 2008
a "sawlike" potential is not homegeneous! as simple as that ...
the first is implemented as a regular potential, the second using
Berry's phases and constrained optimization, following ideas from
Resta, Vanderbilt, Umari-Pasquarello among others
Cheers - SB
On Jul 8, 2008, at 11:19 AM, alan chen wrote:
> Dear PWSCF users,
> I know this question might be too general but I just want to
> give a try.
> In PWSCF, there are two options for external field. One is
> 'tefield' to simulate a sawlike potential, the other is 'lelfield'
> to simulate a homogeneous electric field. Could you tell the
> difference between these two options? Or can you link me to some
> useful references about how to use these two types of external field?
> Thank you very much.
> Department of Physics,
> Yale University
> Pw_forum mailing list
> Pw_forum at pwscf.org
Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center -
http://www.sissa.it/~baroni / [+39] 040 3787 406 (tel) -528 (fax) /
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