jiyuyang

1. Parsed data output have already been supported, one can use command line  or Python script with write function  2. We currently do not support a user interface...

As far as I know, TDDFT needs to read the time-evolved wave function to restart the task. I don't know how it is implemented in the program, but reading an...

1. I also did not set the restart with `init_wfc` turned on before, but the last step before the restart and the first step after the restart had inconsistent self-consistent...

And I suggest that a directory can be created for saving H(K), S(K) wfc(k).... files when `out_app_flag` is set to False, just like STRU directory for saving MD trajectory. Even...

I also test the restart function, different scf ETOT is obtained 

ABACUS v3.5.4 can work well

Use a single `efermi` value for nspin=1 or 4, a list `[efermi1, efermi2]` for nspin=2, a list `[efermi1, efermi2, efermi3 ...]` for comparing many band structure files

@QuantumMisaka ASE-ABACUS has already supported MD_dump 2 month ago, please see this issue(https://gitlab.com/1041176461/ase-abacus/-/issues/31)