[Pw_forum] Born effective charge
Dal Corso Andrea
dalcorso at sissa.it
Thu Dec 3 11:38:20 CET 2009
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
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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
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