DOS and BAND STRUCTURE
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zhuanghl
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DOS and BAND STRUCTURE
A strange problem occur that there is clear band gap in the band structure plot around Fermi level.While in the DOS curve,there is some value of DOS at the Fermi energy and absolutely no gap around it.Could someone tell me why?Thanks!
Last edited by zhuanghl on Thu Dec 07, 2006 10:13 am, edited 1 time in total.
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admin
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DOS and BAND STRUCTURE
please check the eigenvalue spectrum at all k-points (not just those along the high-symmetry lines used to generate the bandstructure) whether some bands cross the Fermi level (in some other part of the BZ). Please also mind that the visualisation programs themselves may introduce some (eg. interpolation) errors.
Last edited by admin on Thu Dec 07, 2006 10:22 am, edited 1 time in total.