---
name: "phonopy-gruneisen"
section: "1"
platform: "linux"
package: "python3-phonopy"
version: "2.38.2-1"
release: "Debian 13 (Trixie)"
platforms: ["linux"]
url: "https://new.carta.tech/phonopy-gruneisen"
---

# phonopy-gruneisen(1)

manual page for phonopy-gruneisen 2.38.1

## NAME

phonopy-gruneisen - manual page for phonopy-gruneisen 2.38.1

## DESCRIPTION

usage: phonopy-gruneisen \[-h\] \[--abacus\] \[--abinit\] \[--aims\] \[--castep\]

- \[--cp2k\] \[--crystal\] \[--dftb+\] \[--elk\] \[--fleur\]

  \[--lammps\] \[--qe\] \[--siesta\] \[--turbomole\] \[--vasp\] \[--wien2k\] \[--pwmat\] \[--band BAND\_PATHS\] \[--band\_points BAND\_POINTS\] \[-c FILE\] \[--color COLOR\_SCHEME\] \[--cutoff CUTOFF\_FREQUENCY\] \[--dim SUPERCELL\_DIMENSION\] \[--factor FACTOR\] \[--hdf5\] \[--gc\] \[--marker MARKER\] \[--markersize MARKERSIZE\] \[--mass MASSES\] \[--mp SAMPLING\_MESH\] \[--nac\] \[--nomeshsym\] \[-o OUTPUT\_FILENAME\] \[-p\] \[--pa PRIMITIVE\_AXES\] \[--q\_cutoff CUTOFF\_WAVE\_VECTOR\] \[--readfc\] \[-s\] \[--delta-strain DELTA\_STRAIN\] \[-t TITLE\] \[--tmax TMAX\] \[--tmin TMIN\] \[--tolerance SYMPREC\] \[--tstep TSTEP\] \[--vf VOLUMES\_FILENAME\] \[dirnames ...\]

Phonopy gruneisen command-line-tool

### positional arguments:

- dirnames

  Directory names of phonons with three different volumes (0, +, -)

### options:

- **-h**, **--help**

  show this help message and exit

- **--abacus**

  Invoke ABACUS mode

- **--abinit**

  Invoke Abinit mode

- **--aims**

  Invoke FHI-aims mode

- **--castep**

  Invoke CASTEP mode

- **--cp2k**

  Invoke CP2K mode

- **--crystal**

  Invoke CRYSTAL mode

- **--dftb**+

  Invoke dftb+ mode

- **--elk**

  Invoke elk mode

- **--fleur**

  Invoke Fleur mode

- **--lammps**

  Invoke Lammps mode

- **--qe**

  Invoke Quantum espresso (QE) mode

- **--siesta**

  Invoke Siesta mode

- **--turbomole**

  Invoke TURBOMOLE mode

- **--vasp**

  Invoke Vasp mode

- **--wien2k**

  Invoke Wien2k mode

- **--pwmat**

  Invoke PWmat mode

- **--band** BAND\_PATHS

  Band paths in reduced coordinates

- **--band\_points** BAND\_POINTS

  Number of sampling points in a segment of band path

- **-c**, **--cell** FILE

  Read unit cell

- **--color** COLOR\_SCHEME

  Color scheme

- **--cutoff** CUTOFF\_FREQUENCY

  Plot above this cutoff frequency for mesh sampling mode.

- **--dim** SUPERCELL\_DIMENSION

  Same behavior as DIM tag

- **--factor** FACTOR

  Conversion factor to favorite frequency unit

- **--hdf5**

  Use hdf5 to read force constants and store results

- **--gc**, **--gamma\_center**

  Set mesh as Gamma center

- **--marker** MARKER

  Marker for plot (matplotlib)

- **--markersize** MARKERSIZE

  Markersize for plot in points (matplotlib)

- **--mass** MASSES

  Same as MASS tag

- **--mp**, **--mesh** SAMPLING\_MESH

  Sampling mesh

- **--nac**

  Non-analytical term correction

- **--nomeshsym**

  Symmetry is not imposed for mesh sampling.

- **-o**, **--output** OUTPUT\_FILENAME

  Output filename of PDF plot

- **-p**, **--plot**

  Plot data

- **--pa**, **--primitive-axis**, **--primitive-axes** PRIMITIVE\_AXES

  Same as PRIMITIVE\_AXES tags

- **--q\_cutoff** CUTOFF\_WAVE\_VECTOR

  Acoustic modes inside cutoff wave vector is treated.

- **--readfc**

  Read FORCE\_CONSTANTS

- **-s**, **--save**

  Save plot data in pdf

- **--delta-strain** DELTA\_STRAIN

  Delta strain instead of using delta-V/V

- **-t**, **--title** TITLE

  Title of plot

- **--tmax** TMAX

  Maximum calculated temperature

- **--tmin** TMIN

  Minimum calculated temperature

- **--tolerance** SYMPREC

  Symmetry tolerance to search

- **--tstep** TSTEP

  Calculated temperature step

- **--vf**, **--volumes\_filename** VOLUMES\_FILENAME

  Filename of volume is contained.