Dear QE users
I am trying to calculate electron pDOS of Aluminum. It has 1s2 2s2 2p6 3s2 3p1 electron configuration. But in my calculation I am getting 1s and 2p epdos only. I have attached my input files . I greatly appreciate If anyone can help to get this corrected. I tried changing Emax and Emin in epdos.in. But it didn't work. How can we choose this energy range correctly ? Thank you Jaya
edos.in
Description: edos.in
edos_pp.in
Description: edos_pp.in
epdos.in
Description: epdos.in
pw.in
Description: pw.in
run-pw1.pbs
Description: run-pw1.pbs
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