[Pw_forum] question regarding ILDOS plots in PP.x

meysam pazoki meysam.pazoki at gmail.com
Mon May 4 11:13:37 CEST 2015


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
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