[Pw_forum] Born effective charge

[Dal Corso Andrea]

On Thu, 2009-12-03 at 12:55 +0330, mohaddeseh abbasnejad wrote:
> Dear Andrea,
>  
> I am using version 4.1 of QE.

4.1 is working on my PC with one or two processors with one or two
pools. It seems a problem of your system/ compiler / libraries. Did you
check the examples? Do they work?

Andrea


>  
> 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)
>         >
>         >
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>         >
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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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-- 
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