Qiangqiang Gu

Results 7 issues of Qiangqiang Gu

**Describe the problem**: when using the version v1.0.183. I use the sz command to download xxx.tar.gz file. it says succefully downloaded. but when i open the downloaded file. it is...

T: Bug

### Background now run command is not compatible with dftb model. ### Describe the solution you'd like add a saver in dftb class. ### Additional Context _No response_

### Describe the bug I am using abacus to run the cell-relax job for a bulk MoS2 system. The initial structure is adopted from materials project and give honeycomb pattern...

Symmetry

### Background The basis used in DFT calculations is more than that in the TB model. there are some bands that should be excluded for training the TB model. previously...

Implement time-reversal symmetry reduction for k-points with proper weight calculation. Handles TRIM points (weight=1) and regular points (weight=2) correctly.