[Wien] (no subject)
sikandar_hu at yahoo.com
Mon Aug 4 13:18:18 CEST 2014
I am facing some problem in two of my compounds, i did the doping in both compounds, when the calculation completed, I checked the band gap with the command
grep GAP *.scf
which shows the band gap 3.56 and 2.98 eV, but Band structure and density of states plot shows its metallic nature.
Now i don't know, Why?
with best regards
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Wien