YiTian Yang

used code I submitted is not so accurate, so I find a way to help when not using converse DFT to get magmom output by ABACUS, and it also make...

error: cuda out of memory. when training a YIG model

1

Using nvidia rtx 4090 (24G memory), to train a YIG model, whose hamiltonian.h5 file sizes 230MB, encountered error: cuda out of memory. I have go through CrI3 test and successed...

Doing nscf overwrite ABACUS-CHARGE-DENSITY.restart file

1

### Describe the bug ABACUS v3.9.0. When performing nscf, it actually do one iteration scf, and overwriting the ABACUS-CHARGE-DENSITY.restart file, make it unable to do nscf twice without backup it....