[Pw_forum] Born effective charge

[mohaddeseh abbasnejad]

Dear Andrea,

I am using version 4.1 of QE.

Yours,
M. Abbasnejad

On Thu, Dec 3, 2009 at 12:46 PM, Dal Corso Andrea <dalcorso at sissa.it> wrote:

> On Wed, 2009-12-02 at 22:53 +0330, mohaddeseh abbasnejad wrote:
> > Dear Prof. Baroni,
> >
> > You are completely right.
> > Here are the input files for Phonon calculation as an attachment.
> > Yours,
> > M. Abbasnejad
> >
> >
> Which version of QE are you using? I am not able to reproduce your
> problem on my PC.
>
>
> Andrea
>
>
>
> >
> >
> > 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
> >         >
> >         > ---------------------------------------------------------
> >         >
> >         >
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> >
> >         ---
> >         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 pensée - 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
> >
> >
> >
> >
> >
> >
> >
> >
> >
> >
> >
> >
> >
> >
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> >
> >
> >
> > --
> > ---------------------------------------------------------
> >
> > 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
> >
> > ---------------------------------------------------------
> >
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> --
> Andrea Dal Corso                    Tel. 0039-040-3787428
> SISSA, Via Beirut 2/4               Fax. 0039-040-3787528
> 34151 Trieste (Italy)               e-mail: dalcorso at sissa.it
>
>
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-- 
---------------------------------------------------------

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

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