PHONOPY-PROPPLOT

NAME

phonopy-propplot - manual page for phonopy-propplot 2.16.2

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