[Wien] G-MAX and R-MT*KMAX for CNT systems

taiiebeh molarooy taiiebehm at yahoo.com
Mon Mar 17 11:54:34 CET 2008


Dear wien users,
  Hi, for 1D systems like CNT what numbers are better to choose for G-MAX and R-MT*KMAX ?
  Another qustion, if the value of band gap that obtained from DOS were so larger than the value of band gap that obtained from band structure, in that case what should I do? Should I  increase the number of k-points?
  Best Regards,

       
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