deepmodeling / deepmodeling/DeePTB
Bug about plotting the band in DeePTB-e3
Open
- Dominant language
- Python
- Stars
- 122
- Forks
- 36
- PR merge metrics
- No merged PRs in 30d
Description
### Details
when i use the "override_overlap" to draw the band in deeptb-e3, I get a warning like that:
dargs.dargs.ArgumentKeyError: [at location `task_options`] undefined key `override_overlap` is not allowed in strict mode
and if I do not use the overlaps from DFT, it says the S(k) are not positive-definite, though i have trained 2000+ epoch and get the train_lost in 0.0028.
so what's the problems?
Contributor guide
Assessment
This issue has not been assessed yet.