[Pw_forum] question regarding ILDOS plots in PP.x

[Guido Fratesi]

Dear Meysam,
emin and emax are in INPUTPP, not PLOT namelist. Also, another source of 
problems could be your fileout: write fileout='ildosCB.dat' as it is a 
string.
HTH
Guido

On 04/05/2015 11:13, meysam pazoki wrote:
> Dear QE users,
>
> I have used pp.x to plot ILDOS from my scf/nscf calculations. It seems
> that after running pp.x,  i have the main data file (variable fileplot)
> but not the XCRYSDEn file  format for plotting(variable fileout).
>
> Here is my input :
>
> &INPUTPP
> prefix='myrun',
> outdir='./tmp',
> plot_num=10,
> filplot='ildosCB',
> /
> &PLOT
>
> iflag=3,
> output_format=5,
> fileout=ildosCB.dat,
> emin=5.45,
> emax=6.0,
> /
>
> by running this i have the file 'ildosCB' but not the ildosCB.dat!
> I have this error from pp.x:
> *Message from routine chdens:*
> *     namelist plot not found or invalid, exiting*
>
> I expect that i should have the ILDOS data as a 3D data grid file in
> which i can see and plot the ILDOS near Fermi level for every ion using
> XCRYSDEN.
>
> I appreciate if anyone has the same experience help me to solve this
> problem.
>
> Regards
> Meysam
>

-- 
Guido Fratesi

Dipartimento di Fisica
Universita` degli Studi di Milano
Via Celoria 16, 20133 Milano, Italy