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..
Manu On Mon, Aug 28, 2017 at 1:52 PM, Ubaid Mohd <[email protected]> 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 > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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