Renguang
Renguang
## Adding a new function, two files were changed. I add three parameters in the data when reading data from the OUT.ABACUS/running_scf.log. When we use the deltaspin module during the...
### Describe the bug INPUT file is prepared as follows: ``` INPUT_PARAMETERS suffix ABACUS calculation scf ecutwfc 100 scf_thr 1.0e-6 scf_nmax 200 out_chg 0 smearing_method gauss smearing_sigma 0.01 mixing_type broyden...
### Describe the bug The INPUT file was written as: ``` INPUT_PARAMETERS suffix ABACUS calculation scf ecutwfc 100 scf_thr 1.0e-6 scf_nmax 200 out_chg 0 smearing_method gauss smearing_sigma 0.01 mixing_type broyden...