Man page - phonopy-qha(1)

Packages contains this manual

Package:  python3-phonopy
apt-get install python3-phonopy

Manuals in package:
• phonopy-qe-born(1)
• phonopy-gruneisenplot(1)
• phonopy-pdosplot(1)
• phonopy-vasp-efe(1)
• phonopy-crystal-born(1)
• phonopy-bandplot(1)
• phonopy-calc-convert(1)
• phonopy-qha(1)
• phonopy-propplot(1)
• phonopy-gruneisen(1)
• phonopy-vasp-born(1)
• phonopy(1)
• phonopy-tdplot(1)
• phonopy-load(1)
Documentations in package:
• python3-phonopy

Manual

PHONOPY-QHA

NAME
DESCRIPTION
positional arguments:
options:

---

NAME

phonopy-qha - manual page for phonopy-qha 2.38.1

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 , --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

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