[soaip] section
[soiap] section is required only if you use soiap (calc_code = soiap)
| Name | Value | Default | Description |
|---|---|---|---|
soiap_infile |
str | File name of soiap input file. | |
soiap_outfile |
str | File name of soiap output file. | |
soiap_cif |
str | File name of soiap CIF-formatted initial structure. |