[Pw_forum] Hartree-Fock calculation

Stefano de Gironcoli degironc at sissa.it
Tue May 12 22:11:51 CEST 2009


mohaddeseh abbasnejad wrote:
> Dear Axel,
>  
> Honestly I heard it from one of my colleagues. In order to him, it's 
> under test. He just knew about it and nothing more.

indeed ... read example/EXX_example/README

Stefano de Gironcoli - SISSA and DEMOCRITOS


> Yours,
> Mohaddeseh
>
>
>  
> On Tue, May 12, 2009 at 10:25 PM, Axel Kohlmeyer 
> <akohlmey at cmm.chem.upenn.edu <mailto:akohlmey at cmm.chem.upenn.edu>> wrote:
>
>     On Tue, 2009-05-12 at 09:29 -0700, mohaddeseh abbasnejad wrote:
>     > Dear all,
>     >
>     > I think that it's possible to do Hartree-Fock calculation using
>     PWSCF
>     > but it needs some utilities which should be installed before using.
>
>     dear mohaddeseh,
>
>     please explain where you get this impression from.
>
>     > I was wondering if you could help me.
>
>     no.
>
>     > Thanks in advance.
>
>     cheers,
>       axel.
>
>     > Yours,
>     > Mohaddeseh
>     >
>     >
>     >
>     >
>     > --
>     > ---------------------------------------------------------
>     >
>     > 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 <mailto:m.abbasnejad at gmail.com>
>     > Website:  http://physics.ut.ac.ir <http://physics.ut.ac.ir/>
>     >
>     > ---------------------------------------------------------
>     >
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>     --
>     =======================================================================
>     Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu
>     <mailto:akohlmey at cmm.chem.upenn.edu>   http://www.cmm.upenn.edu
>     <http://www.cmm.upenn.edu/>
>       Center for Molecular Modeling   --   University of Pennsylvania
>     Department of Chemistry, 231 S.34th Street, Philadelphia, PA
>     19104-6323
>     tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
>     =======================================================================
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>     idiot.
>
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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 <mailto:m.abbasnejad at gmail.com>
> Website:  http://physics.ut.ac.ir
>
> ---------------------------------------------------------
>
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