[QE] section
[QE] section is required only if you use QE (calc_code = QE)
| Name | Value | Default | Description |
|---|---|---|---|
kppvol | int [int …] | Grid density per Å**(-3) of reciprocal cell in each stage | |
qe_infile | str | File name of QE input file. | |
qe_outfile | str | File name of QE output file. | |
pv_term | bool | False | If true, read enthalpy instead of total energy. |