Hi, You need specify the number of bands when you adopt 'fixed' scheme for insulators.
Hope it helps Regards Hai-Ping On Thu, Sep 3, 2009 at 3:02 PM, dev sharma <decboy9 at gmail.com> wrote: > Hi 2 All, > > I have calculated the band structure of my system with occupancy =fixed > as it is insulator. Then i tried to calculated LDOS and PDOS of the system > using projwfc.x. But when i am plotting my total DOS i.e. the file > "prefix.pdos_tot" , i am getting the DOS only corresponding to valance > band. The conduction band peaks are missing. Means i am getting the > # E (eV) dos(E) pdos(E) > -15.000 0.916E-07 0.915E-07 > / > / > 7.210 0.585E-04 0.582E-04 > > i.e. the energy range is Emin=-15 to Emax=7 ev, whereas my input file for > projwfc is listed below, where i have given my Emax=15, > &INPUTPP > prefix='yvo', > outdir='/home/physics/work/yvo/temp', > ngauss=0, > degauss=0.02, > DeltaE=0.01, > Emin=-15, > Emax=15, > / > > Please help. Thankful to all of you. > > Dev Sharma, > University of delhi > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Hai-Ping Lan Department of Electronics , Peking University , Bejing, 100871 lanhaiping at gmail.com, hplan at pku.edu.cn -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090903/3cb8b9cf/attachment.htm
