[Wien] grep :GAP issue
Dr. K. C. Bhamu
kcbhamu85 at gmail.com
Fri Dec 29 16:12:41 CET 2017
Hello,
[Its with Wien2k_17.1]
I am running TM doped PbS with -sp.
I am not able to get any number (band gap ) from grep :GAP command (grep
:GAP *.scf) while :FER or any other switches are working well.
It is known to me that whether a material is metallic or semiconductor,
"grep :GAP *.scf" should always work.
What is the possible issue of not getting GAP value (0.0 eV or x.y eV, ...)
in the present case?
Regards
K.C. Bhamu
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