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- Thu Nov 18, 2010 12:54 am
- Forum: Response calculations
- Topic: Phonon dispersion of 10,10 Carbon Nanotube
- Replies: 1
- Views: 3534
Phonon dispersion of 10,10 Carbon Nanotube
Dear Colleagues, I am trying to calculate the phonon dispersion of the 10,10 carbon nanotube system. The structure is primitive monoclinic and I already optimized the geometry of the molecule. Currently I am trying to get a phonon band structure first using only a very coarse 2x2x2 k-point mesh whic...