The python file contains a set of functions to extract vibrational modes, vibrational frequencies, create an xyz file of the modes and also to make a movie from an OUTCAR file. This code is particular useful for people perfoming quantum chemical calculations using VASP.
Zhangquan2018/vibrational_modes
The python file contains a set of functions to extract vibrational modes, vibrational frequencies, create an xyz file of the modes and also to make a movie from an OUTCAR file. This code is particular useful for people perfoming quantum chemical calculations using VASP.
Jupyter Notebook