.\" DO NOT MODIFY THIS FILE!  It was generated by help2man 1.49.2.
.TH PHONOPY-QHA "1" "September 2022" "phonopy-qha 2.16.2" "User Commands"
.SH NAME
phonopy-qha \- manual page for phonopy-qha 2.16.2
.SH DESCRIPTION
usage: phonopy\-qha [\-h] [\-b] [\-\-eos EOS] [\-\-exclude_imaginary] [\-p]
.IP
[\-\-pressure PRESSURE] [\-\-efe EFE_FILE] [\-s]
[\-\-sparse THIN_NUMBER] [\-\-tmax TMAX]
[filenames ...]
.PP
Phonopy\-QHA command\-line\-tool
.SS "positional arguments:"
.TP
filenames
Filenames of e\-v.dat and thermal_properties.yaml's
.SS "options:"
.TP
\fB\-h\fR, \fB\-\-help\fR
show this help message and exit
.TP
\fB\-b\fR
Just show Bulk modulus from v\-e data
.TP
\fB\-\-eos\fR EOS
Choise of EOS among vinet, birch_murnaghan, and
murnaghan
.TP
\fB\-\-exclude_imaginary\fR
Exclude volumes that show imaginary modes
.TP
\fB\-p\fR, \fB\-\-plot\fR
Plot data
.TP
\fB\-\-pressure\fR PRESSURE
Pressure in GPa
.TP
\fB\-\-efe\fR EFE_FILE, \fB\-\-electronic\-free\-energy\fR EFE_FILE
Read electronic free energies at temperatures and
volumes
.TP
\fB\-s\fR, \fB\-\-save\fR
Save plot data in pdf
.TP
\fB\-\-sparse\fR THIN_NUMBER
Thin out the F\-V plots of temperature. The value is
used as deviser of number of temperature points.
.TP
\fB\-\-tmax\fR TMAX
Maximum calculated temperature