[Pw_forum] Finite Electric field

Antonio MSJ antonio.pwscf at gmail.com
Mon Nov 30 17:47:57 CET 2009


Hi, I used Gaussian code to apply a finite electric field to a molecule, now
I'm trying to do the same with a periodic system with PWscf. I found in
PWscf manual the 'lelfield' amd 'gdir' variables and I understood that I can
define the direction of the field to be only the axis direction on
reciprocal lattice. Is there any way to define the electric field direction
with components of a*, b* and c*? In another words, a diagonal electric
field through the cell?

Thank you very much.

Antônio
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091130/9543d6e9/attachment.html>


More information about the users mailing list