[Pw_forum] stress and electric field

hanghui chen chenhanghuipwscf at gmail.com
Sat Mar 28 23:44:58 CET 2009


Dear PWSCF users,

      I have a question about the stress when the electric field is turned
on.
     If I turn on a 'sawtooth' potential, the code explicitly warns that
"Presently stress not available with electric field". However if I use the
Berry phase method to turn on an electric field in the bulk, is the stress
calculated correctly? If yes, then why we can calculate stress in the Berry
phase method but not with the 'sawtooth' potential? If not, does that mean
the stress is not meaningful in the Berry phase method?
     Thank you very much.

Hanghui Chen
Department of Physics
Yale Unversity
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090328/5d77dcdb/attachment.html>


More information about the users mailing list