yycx1111

Results 5 comments of yycx1111

Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable

> Have you ever tried to follow the setting suggested by the official doc > > ![Image](https://github.com/user-attachments/assets/0ad11621-2b24-4e92-9201-48f16ae02762) No, I have not followed the setting before. I'm testing based on the...

Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable

> Have you ever tried to follow the setting suggested by the official doc > > ![Image](https://github.com/user-attachments/assets/0ad11621-2b24-4e92-9201-48f16ae02762) After following the official doc settings in init_train, the following error occurs in...

Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable

> Have you ever tried to follow the setting suggested by the official doc > > ![Image](https://github.com/user-attachments/assets/0ad11621-2b24-4e92-9201-48f16ae02762) After setting this, the convergence rate improves in the first few rounds of...

Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable

> [@yycx1111](https://github.com/yycx1111) Maybe you can try the following suggestions in order: > > 1. Try the latest code of deepks-kit. Lately we have fixed a bug for band gap label....

Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable

> > > [@yycx1111](https://github.com/yycx1111) Maybe you can try the following suggestions in order: > > > > > > 1. Try the latest code of deepks-kit. Lately we have fixed...