[Pw_forum] Homo-Lumo and charge transfer

[Ubaid Mohd]

Dear users,

I am doing the calculation of adsorption molecule in a 2d plane(graphen). I
have done all calculations like binding energies band structure,dos and
pdos. Now I want want to do pp.x calculations in which I want to plot
homo-lumo states. I want to know how chose the the value of kpoints and
kbands under the inputpp. Also want to know how to find charge transfer? Is
it given any output file like pdos.out or any other?
Any reference can be helpful for me.
Thanks and regards

*Mohammad Ubaid*
*PhD Research Scholar*
*Department of Physics*
*Jamia Millia Islamia University*
*New Delhi - 110025*
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