CCL:G: How to generate the band structure from Gaussian PBC calculations

 Sent to CCL by: "Dr. Attila Bende" [bende/./itim-cj.ro]
 Dear Jun!
 Try, this:
 # PBC=NKPoint=12 IOP(5/103=10) IOP(5/98=1) IOP(5/33=1)
 I'm not sure that it works for two dimension, but for one dimension, Yes.
 You can change the NKPoint value, if you want.
 Best, wishes
 Attila
 > Hello CCLers,
 >
 > Recently I did some PBC calculations on Gaussian 09. I checked the
 > gaussian website and failed to find the procedure to generate the band
 > structure from PBC calculations for one or two dimensional materials. Is
 > is possible to do it? If yes, how?
 >
 > Any suggestion will be highly appreciated.
 >
 > Best wishes,
 >
 > Jun
 >
 --
 Dr. Bende Attila (PhD)
 Senior Researcher III
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 Molecular and Biomolecular Physics Department
 National Institute of R&D of Isotopic and Molecular Technologies
 Str. Donath nr.65-103, C.P.700
 Cluj-Napoca, R-400293, Romania
 Phone:+40-264-584037, ext 194, Fax: +40-264-420042
 e-mail: bende%a%itim-cj.ro, attlbende%a%gmail.com
 Web: http://www.itim-cj.ro/~bende
      http://www.researcherid.com/rid/A-6539-2008
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