[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.



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