NAME

       phonopy-qha - manual page for phonopy-qha 2.21.2

DESCRIPTION

       usage: phonopy-qha [-h] [-b] [--eos EOS] [--exclude_imaginary] [-p]

              [--pressure PRESSURE] [--efe EFE_FILE] [-s] [--sparse THIN_NUMBER] [--tmax TMAX] [filenames ...]

       Phonopy-QHA command-line-tool

   positional arguments:
       filenames
              Filenames of e-v.dat and thermal_properties.yaml's

   options:
       -h, --help
              show this help message and exit

       -b     Just show Bulk modulus from v-e data

       --eos EOS
              Choise of EOS among vinet, birch_murnaghan, and murnaghan

       --exclude_imaginary
              Exclude volumes that show imaginary modes

       -p, --plot
              Plot data

       --pressure PRESSURE
              Pressure in GPa

       --efe EFE_FILE, --electronic-free-energy EFE_FILE
              Read electronic free energies at temperatures and volumes

       -s, --save
              Save plot data in pdf

       --sparse THIN_NUMBER
              Thin  out  the  F-V  plots  of  temperature. The value is used as deviser of number of temperature
              points.

       --tmax TMAX
              Maximum calculated temperature

phonopy-qha 2.21.2                                February 2024                                   PHONOPY-QHA(1)