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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090903/532fa66a/attachment.htm
