[Pw_forum] Electric field Polarization

[Nossa, Javier]

Dear Quantum Espresso Users,

I could not resolve this issue by myself.

I am trying to get the polarization due to a external electric field.
To do so, I start with a bare scf calculation.
Then a nscf including an external electric field (lberry= .true.).

After the calculation is done, no polarization due to the external electric
field is printed out (no-warning either).

I checked the berry tests (PW/tests) and I got the polarization for Berry's
phase (pw.scf.in and pw.nscf.in for input files). But I do not get any
polarization If I included the electric field (pw.nscfEF.in).

I am sure there most be something wrong with my input file but I have not
been able to figure it out. I also tested FeO and it works fine.

I would greatly appreciate your help.


-- 
With best regards,
Javier Francisco Nossa

Postdoc at Geophysical Laboratory
Carnegie Institution of Washington
5251 Broad Branch Road, N.W.
Washington, DC 20015-1305
Tel.: 1.240.476.3993
E-mail: jnossa at carnegiescience.edu <dappleby at ciw.edu>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140815/95057354/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: pw.nscfEF.in
Type: application/octet-stream
Size: 1066 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140815/95057354/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: pw.scf.in
Type: application/octet-stream
Size: 1129 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140815/95057354/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: pw.nscf.in
Type: application/octet-stream
Size: 1029 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140815/95057354/attachment-0002.obj>