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://pwscf.org/pipermail/pw_forum/attachments/20140815/95057354/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: pw.nscfEF.in Type: application/octet-stream Size: 1065 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140815/95057354/attachment.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: pw.scf.in Type: application/octet-stream Size: 1128 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140815/95057354/attachment-0001.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: pw.nscf.in Type: application/octet-stream Size: 1028 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140815/95057354/attachment-0002.obj
