This script is used to calculate the voronoi volume of each sites in a crystal.
The cutoff threhold shoule be modified in some cases.
python get_voronoi_volume.py POSCAR 0 32 # Print a list of Voronoi volumes from the first atom to the 32^th atom.-
If you are working on a high-entropy material which the atomic positions distort signifcantly. You may have chance to get a unreasonalble atomic volume. In this case, increase the cutoff in get_all_neighbors() function and pay attention to the error/accuracy, but this will increase the computational cost.
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If your structure is not a cubic system, you need to change the fraction volume of atoms by changing this.