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 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- 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> * -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131024/fb5c7a91/attachment.html
