Dear all, I want to calculate charge density of lowest unoccupied (LUMO). At first, I run pw.x and then run pp.x,but when I want to see plot of charge density in xcrycden, it was got an error that it is out of range. I use plot_num=10 in inputfile for pp.x. please help me. lowest unoccupied level (ev):-0.9714 highest occupied:-3.6955 I set emin = -3.5561 and emax=-0.9514 Thanks
-- N.H.Jazi PhD student of Physics. Physics Department,Central Tehran Branch,Islamic Azad University,Tehran,88074907,Iran. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
