A help python script to visualize the vibration modes from a VASP calculation.
The script read the eigenvectors of the vibration modes from OUTCAR and the
atomic coordinates from POSCAR. The vibration mode is then shown as a vector
field on the atomic sites. To visualize the mode, an '.xsf' file of the selected
mode is written, which can be openned by VESTA.
By default, all the vibration modes are selected (-m 0).
usage: vasp2xsf.py [-h] [-i OUTCAR] [-p POSCAR] [-m MODE] [-s SCALE]
optional arguments:
-h, --help show this help message and exit
-i OUTCAR Location of VASP OUTCAR.
-p POSCAR Location of VASP POSCAR.
-m MODE Select the vibration mode, 0 for all modes.
-s SCALE Scale factor of the vector field.