[Pw_forum] Born effective charge

[mohaddeseh abbasnejad]

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
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> 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) /
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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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