Users of VASP are often familiar with the struggles/hardships to easily visualize the coordinates from the output file OUTCAR. To that effect, I wrote the following script … with help at a crucial stage from Pat Krogel, Center for Experimental Computation at Michigan Technological University. It requires the OUTCAR and POSCAR files from a VASP simulation to be in the same folder and when successfully completed, it generates in OUTPUT_FILENAME.xyz – containing frame-by-frame XYZ coordinate information corresponding to each (optimization) step.

The script is part of a GitHub repository.