Dear Prof. Baroni, You are completely right. Here are the input files for Phonon calculation as an attachment. Yours, M. Abbasnejad
On Wed, Dec 2, 2009 at 10:18 PM, Stefano Baroni <baroni at sissa.it> wrote: > How can we know if you do not provide any details on your input files? SB > > On Dec 2, 2009, at 9:41 AM, mohaddeseh abbasnejad wrote: > > Hi, > > Trying to calculate the born effective charges of my case, I get NAN. The > structure has been relaxed carefully. > What may cause the problem? > Thanks for any comment. > > Yours, > M. Abbasnejad > University of Tehran > > -- > --------------------------------------------------------- > > Mohaddeseh Abbasnejad, > Room No. 323, Department of Physics, > University of Tehran, North Karegar Ave., > Tehran, P.O. Box: 14395-547- IRAN > Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781 > Cellphone: +989177317514 > E-Mail: m.abbasnejad at gmail.com > Website: http://physics.ut.ac.ir > > --------------------------------------------------------- > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > > --- > Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste > http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / > stefanobaroni (skype) > > La morale est une logique de l'action comme la logique est une morale de > la pens?e - Jean Piaget > > Please, if possible, don't send me MS Word or PowerPoint attachments > Why? See: http://www.gnu.org/philosophy/no-word-attachments.html > > > > > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- --------------------------------------------------------- Mohaddeseh Abbasnejad, Room No. 323, Department of Physics, University of Tehran, North Karegar Ave., Tehran, P.O. Box: 14395-547- IRAN Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781 Cellphone: +989177317514 E-Mail: m.abbasnejad at gmail.com Website: http://physics.ut.ac.ir --------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091202/d6cbb623/attachment.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: ph.in Type: application/octet-stream Size: 260 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20091202/d6cbb623/attachment.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: test.in Type: application/octet-stream Size: 933 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20091202/d6cbb623/attachment-0001.obj
