[Wien] error in lapw1 at cycle4
samaneh javan
samjavan at gmail.com
Mon Jun 23 10:43:12 CEST 2008
Dear Users,
I read userguide and plot my band structure according to that.
The process is
after a successful scf
making case.klist_band
x lapw1 -band
x lapw2 -qtl -band
editing case.insp
x spaghetti
plot ...
my questions:
1- I saw case.energy but I want to know from which file I can calculate band
gap and band width exactly and how.
2. Is there any difference between bandstructure of one case with the same
case.klist_band but different case.klist ?
Thanks in advance
Samaneh Javan
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