QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: msg on April 8, 2011, 13:49
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1.i would like to know what is the band gap for the attached image (zig-zag GNR) since the band gap obtained using analyser script seems to be different.
2. how is the valence and conduction band maxima and minima estimated using the code. (since they taken at different z-coordinate points).
3. what is the difference between band gap(just below the valence and conduction band maxima and minima) and direct band gap(obtained at yet another z-coordinate point) obtained using the analyser