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
ZnSb band gap by LDA.odt
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