[Pw_forum] Plotting PDOS
mhegde at uwaterloo.ca
Mon Aug 28 21:55:48 CEST 2017
projwfc.x gives valence orbital contribution that you used in your
pseudopotential (orbital projected density of states) . Indeed, it will
give you many files.
to sum the orbitals you have to use sumpdos.x, use like *\(x\)* > X.dat x=
s, p, d.. orbitals..
On Mon, Aug 28, 2017 at 1:52 PM, Ubaid Mohd <onlymubaid at gmail.com> wrote:
> Dear users,
> I am doing calculations of phosphorene with molecule adsorption. I have
> calculated binding energy, band structure and Dos. Now I want to plot the
> PDOS to see the induced states. Also I have performed the PDOS calculations
> using the projwfc.x but I am unable to understand that which of the files
> are significant out of that files which I got from project.x.There are many
> files of in the output.
> Also I want to know how to sum the all pdos.
> Thanks and regards
> *Mohammad Ubaid*
> *PhD Research Scholar*
> *Department of Physics*
> *Jamia Millia Islamia University*
> *New Delhi - 110025*
> Pw_forum mailing list
> Pw_forum at pwscf.org
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