[Pw_forum] Born effective charge
mohaddeseh abbasnejad
m.abbasnejad at gmail.com
Thu Dec 3 12:08:01 CET 2009
Dear Andrea,
I think you are right. Now I have checked it on another computer and it is
working properly. and actually there is any problem with the input files.
As you have mentioned, I think there might be some problems with the system.
Thank you very much for your comment.
Yours,
M. Abbasnejad
On Thu, Dec 3, 2009 at 2:08 PM, Dal Corso Andrea <dalcorso at sissa.it> wrote:
> 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)
> > >
> > >
> > > 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
> > >
> > > ---------------------------------------------------------
> > >
> > > _______________________________________________
> > > Pw_forum mailing list
> > > Pw_forum at pwscf.org
> > > http://www.democritos.it/mailman/listinfo/pw_forum
> > --
> >
> > 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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> > 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
> >
> > ---------------------------------------------------------
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> --
> 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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> Pw_forum at pwscf.org
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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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