I think it would be a good idea to have a separate data type for k-points rather than just using bare vectors. The rationale for this is that k-point lists are likely to be symmetry-reduced, so each k-point will have an associated weight.
This will require some revision of a few other data structures, but the changeover should be relatively simple.
brainandforce
commented
1 year ago
I think it would be a good idea to have a separate data type for k-points rather than just using bare vectors. The rationale for this is that k-point lists are likely to be symmetry-reduced, so each k-point will have an associated weight.
This will require some revision of a few other data structures, but the changeover should be relatively simple.