[Pw_forum] USPP for Bi

INDIA. -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130503/c84cf588/attachment.html

[Pw_forum] USPP for Bi

/pipermail/pw_forum/attachments/20130503/7aaf8881/attachment.html

[Pw_forum] electron-phonon interaction Spectral function a2F(w) is negative.

for your answers. -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130503/82d8a833/attachment.html

[Pw_forum] Electro-optic tensor contribution

ich one is electronic contribution? Thanks in advance ?? -- Hui Wang School of physics, Fudan University, Shanghai, China -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/2013050

[Pw_forum] PHonon versions 5.0.2/5.0.3 can give very different frequencies as compared to older versions and the latest SVN builds

mistake somewhere, I think it suggests that it's extremely dangerous to do phonon calculations with 5.0.2 or 5.0.3 and you should either stick to 5.0.1 or svn revision 9724 or later. Best, Brad Malone Harvard University -- next part -- An HTML attachment was scr

[Pw_forum] Charge density at any k-point in the Brillouin

of k-points as they appear in the output of pw.x P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130503/15fa7941/attachment.html

[Pw_forum] Pression explose

ame problem? thanks in advance Sakhraoui Taoufik PhD student LMCN, MONASTIR, TUNISIA -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130503/ed4d3a53/attachment.html

[Pw_forum] "not orthogonal operation" during vc-relax when optimizing graphene

Dear all, Recently, I just want to putting 'vc-relax' to optimize the graphene structure, but it repots an error: %% from checkallsym : error # 2 not orthogonal operation %

[Pw_forum] "not orthogonal operation" during vc-relax when optimizing graphene

.org/mailman/listinfo/pw_forum > -- Regards, MOHNISH, - Mohnish Pandey, PhD Student, Center for Atomic Scale Materials Design, Department of Physics, Technical University of Denmark - -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130503/02743303/attachment.html