Open zhubonan opened 3 years ago
The code seems to assume there are up to two spin channels while there can be four in noncolinear spin calculations. The additional spin channels are missing from the parsed pdos array.
Yes, this is the case and needs to be fixed for non-colinear calculations.
The code seems to assume there are up to two spin channels while there can be four in noncolinear spin calculations. The additional spin channels are missing from the parsed pdos array.