[Pw_forum] External E-field Calculation for Bulk

[Mostafa Youssef]

Dear Mohammad,

Yes you can simulate electric field effect on bulk 3D material. In pw.x input description check lelfield = .true.
Also check these two papers:

http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.89.157602

http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.89.117602


Regards,
Mostafa
NU/MIT
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160911/b5ccfd1b/attachment.html>