[Pw_forum] (no subject)
Nasim Ha
nasim.h1364 at gmail.com
Mon May 22 16:17:20 CEST 2017
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.
More information about the users
mailing list