table of contents
| PHONOPY-PROPPLOT(1) | User Commands | PHONOPY-PROPPLOT(1) |
NAME¶
phonopy-propplot - manual page for phonopy-propplot 2.23.1
DESCRIPTION¶
usage: phonopy-propplot [-h] [--factor FACTOR] [--ymax YMAX] [--ymin YMIN]
- [--tmax TMAX] [--tmin TMIN] [--cv] [-s] [--fe]
- [-o OUTPUT_FILENAME] [-d] [--gnuplot] [filename ...]
Phonopy propplot command-line-tool
positional arguments:¶
- filename
- Filename of phonon thermal properties result (thermal_properties.yaml)
options:¶
- -h, --help
- show this help message and exit
- --factor FACTOR
- Conversion factor of energy unit to internal electronic energy
- --ymax YMAX
- Maximum value of y axis
- --ymin YMIN
- Minimum value of y axis
- --tmax TMAX
- Maximum value of temperature
- --tmin TMIN
- Minimum value of temperature
- --cv, --heat_capacity
- Plot heat capacity
- -s, --entropy
- Plot entropy
- --fe, --free_energy
- Plot free energy
- -o OUTPUT_FILENAME, --output OUTPUT_FILENAME
- Output filename
- -d, --diff
- Calculate difference
- --gnuplot
- Damp thermal properties in gnuplot data style
| May 2024 | phonopy-propplot 2.23.1 |