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- Fri Mar 18, 2011 3:33 am
- Forum: Ground state
- Topic: The problem of the band structure of the supercell CaO
- Replies: 1
- Views: 2161
The problem of the band structure of the supercell CaO
Dear all, I’m a new user of abinit. After calculate the band structure of CaO, I’ve some questions on the result. The band structure of the primitive cell of CaO is indirect band gap , and it is the same as the other calculation http://iopscience.iop.org/1742-6596/100/4/042006 . However, the band st...