number of bands and number of k-points|
- Date: 2015/07/24 22:43
- Name: khalid
- Dear Researchers,
For some application, I need to specify the number of bands to be calculated in the band structure (for example I need 250 or 500 bands for my geometry.). Also, I need to know whether the unoccupied bands are calculated correctly ?
At the same time I would like to specify the k-points for band calculation. In the Band.kpath we can specify the number of points, but not the points. Is it possible in openmx?
Khalid Ibne Masood