[Pw_forum] problem in DOS caluclattion

[Stefano de Gironcoli]

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
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