Shenghao Dong

Questions about orbital.

6

Dear developer, From demo and another issue, for MoS2, I know that orbitals need to be 4 parts, [{"42 42": [0, 0]},..., {"42 42": [18, 18]}], [{"42 16": [0, 0]},...,...

Question about example dataset.

8

Dear developer, I am trying to reproduce your results and have downloaded the monolayer and bilayer datasets. Could you please explain the naming conventions for these preprocessed dataset folders? For...

Train：ham_to_feature.py", line 95, in block_to_feature

7

### Describe the bug Hi developers, I try to use E3TB to train on my dataset. I meet the follow error ``` DEEPTB INFO ------------------------------------------------------------------ DEEPTB INFO Cutoff options: DEEPTB...

Does E3 have the same function of ref-band plot as SK?

4

### Details Hi Developers, I hope this message finds you well. I have a couple of questions regarding the functionality of the ```ref_band``` feature and the eigenvalue output in ```dftio```....

Error: The factorization could not be completed because the input is not positive-definite

1

### Describe the bug Hi, developers. Thank you very much for your previous responses and help to the questions I raised. I’m opening a new issue here because I feel...