This code works side-by-side with https://github.com/danis-b/HOPPING
After extracting the hopping parameters from wannier90_hr.dat file:
1- Use the label code with out.dat to include proper labelings and numbering for your material.
2- Execute the output unix commands to create .dat hopping files for each pair in your system.
3- Use the print_hop code to print useful information about each pair hopping.
Note: the value of hopping in the columns corresponds to the highest value in the matrix
Example Usage: python print_hop.py hop.Mo-Mo.dat
Example Output:
Atoms Pair | Max Abs Value (Hopping) | Phase | Group | Radius