fppwp

Friendly Plot Phonon with Phonopy

This python script will allow you to generate plot of phonon in an automatic way.

In order to use it you have to install phonopy: https://phonopy.github.io/phonopy/

VASPkit: https://vaspkit.com/

and Numpy:

  pip3 install numpy

Then dowload the fppwp file and put it in you path.

The command: fppwp -h will give you this message:

usage: FPPwP1.0 (Friendly Plot Phonon with Phonopy [-h] [-t TITLE] [-o OUTPUTFILE]

optional arguments:

  -h, --help            show this help message and exit
  -t TITLE, --title TITLE
                    title of the figure, default nothing
  -o OUTPUTFILE, --outputfile OUTPUTFILE
                    name of the output, default tmp.pdf

To use it, you to first make the calculation of the forces for the POSCAR files obtained with phonopy, please use this:

  phonopy -d --dim="X Y Z"  # X,Y and Z are integers
  for f in POSCAR-*
  do
  mkdir "force-"$f
  cd "force-"$f
  cp ../POTCAR .
  cp ../$f POSCAR
  cp ../KPOINTS .  #here the appropriate kpoint file
  cp ../INCAR .    #here the appropriate INCAR file
  cd ../
  done

When the vasp calculations are done, you can use the fppwp script and you will obtain the tmp.pdf file.

If you want to add title and change the ouptut name here is an exemple:

        fppwp -t 'I use fppwp' -o friendly_phonon.pdf

If you want to write in italic some part of the title:

        fppwp -t 'here is $italic$' -o italic_title.pdf

If you want to write in subscript and exponent some part of the title:

        fppwp -t 'Square$^{2}$ and index$_{10}$' -o sub_index.pdf

Enjoy! :D