Hello Siesta users I am calcuting the band gape of C nannotubes. The band gap (~4eV) which I calculated from Band plot is in agreemnet with other calculations. but when I plot the Density of sates, it shows smaller band gap (3.0 eV ). Why I have such differences in the band gap values. The nanotube has an Indirect band gap. so is the DOS and Band diagram gives different band gape for Indirect band gaped materials? Thank you.
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