Have you calculated enough bands ? You can use nbnd variable in system namelist in order to change the default value. Stefano de Gironcoli - SISSA and DEMOCRITOS
dev sharma 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 >
