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- Sun Aug 11, 2019 11:19 am
- Forum: Ground state
- Topic: The understanding of `occ` variable
- Replies: 1
- Views: 2911
The understanding of `occ` variable
I cannot understand the ussage of occ variable. The all variables help file mentioned Typical band occupancy is either 2 or 0, but can be 1 for half-occupied band or other choices in special circumstances. Thus, I think that It should be 0 if the band is un-occupied, 1 if the band is half-occupied a...