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 > 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131024/840c35dc/attachment.html
