Jijie Zou
Jijie Zou
try to merge poisson-dev to main
Considering the fermi level estimation method in band.py is not very accurate and might fail in the case of metal (like Au primitive cell), I add an another fermi level...
Update fermi level calculation method: 1. Enable cal_E_fermi to calculate Fermi level with smearing method. We add Fermi-Dirac smearing and Gaussian smearing, the two most common smearing method. 2. Update...
### Describe the bug Some user reported an issus when plotting bands for some system not included in training dataset. This is a bug related to torch(v2.5.0) itself. When the...