[QE-users] band gap

Neelam Swarnkar neelamswarnkar35 at gmail.com
Thu May 14 10:24:09 CEST 2020


Dear Expert and all

In my previous email i was ask about the problem in band gap,
 By your valuable suggestions , i again plot the band gap.
of ZnSb thermoelectric material , which has semiconductor type of material
. some author reported 0.72 ev band gap some reported 0.53 to 0.61 ev .

I have used USPP pseudopotential and LDA function with scalar relativistic
method , and  plot the band gap .

will you suggest me plotted graph is correct or not .

thanks
Neelam swarnkar
phd scholar
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