[Pw_forum] probleme with pdos

[Halima Zaari]

thanks you very much


2013/10/24 Giovanni Cantele <giovanni.cantele at spin.cnr.it>

>
> On Oct 24, 2013, at 11:44 AM, Halima Zaari <halimazaari at gmail.com> wrote:
>
> Dears quantum espresso uers
> my first question:
> is what I have to subtract the value of the Fermi level for this level to
> zero.?
>
>
> you must first compute the Fermi level in your system, using its
> definition, that is,
> Ef is the energy value such that the integral of the DOS with respect to
> the energy
> equals the number of electrons.
> You could plot the third column of the "fildos" file (after DOS
> calculation) as a function
> of energy, and see where this curve intercepts the number of electrons in
> your system.
>
>
> my second question:
> in the attached file you can find the file. in for the partial density it
> gives me the error in name list
>
>
> you used "fildos", whereas projwfc expects "filpdos" (the former is for
> dos.x post processing)
>
>
>  can you help me please
> cordially
> --
> H.ZAARI
> PhD Student in laboratory of magnetism and physics of high energy
> Faculty of Sciences in Rabat - Morocco
> Email:* halimazaari at gmail.com <boujnah.mourad at gmail.com>
> *
>
>
>
>
> Giovanni
>
>
>
>
> --
>
> **** PLEASE NOTICE THE NEW E-MAIL ADDRESS: giovanni.cantele at spin.cnr.it
>
> Giovanni Cantele, PhD
> CNR-SPIN
> c/o Dipartimento di Scienze Fisiche
> Universita' di Napoli "Federico II"
> Complesso Universitario M. S. Angelo - Ed. 6
> Via Cintia, I-80126, Napoli, Italy
> Phone: +39 081 676910
> Skype contact: giocan74
>
> ResearcherID: http://www.researcherid.com/rid/A-1951-2009
> Web page: http://people.na.infn.it/~cantele
>                      http://www.nanomat.unina.it
>
>
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-- 
H.ZAARI
PhD Student in laboratory of magnetism and physics of high energy
Faculty of Sciences in Rabat - Morocco
Email:* halimazaari at gmail.com <boujnah.mourad at gmail.com>
*
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