[Wien] NO.. of DOS at Ef
swati chaudhury
swati at rcais.res.in
Tue Jan 29 07:32:20 CET 2008
Hi Mr Udai,
You can see flow of charge in case.outputst file and for other questions I will suggest you to read userguide and DFT-LAPW notes.
Best wishes.
Swati
Udai Verma <upv at airtelbroadband.in> wrote:
Dear all wien2k user's,
I really want your help please answer my few question.
in the output files i don't know where the flow of charge is located?
then where is the value of N(Ef) ie the no. of DOS at Ef? could u please
tell me in what files these are all loacted and where?
and while optimization how do we choose the k-points, lmax, Gmax., at
what basis we have to choose these all? is there any specific point on
that?
from case.scf file how I can get the information about the direct
indirect band gap.
Thanks in advance
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