Dear all,
We have been looking at your input file and you are using a polarized shell of f electrons, meaning you have basis elements up to g character! Removing the f shell gives a correct behavior also with the onsite S-O.
Roberto
Dear all,
We have been looking at your input file and you are using a polarized shell of f electrons, meaning you have basis elements up to g character! Removing the f shell gives a correct behavior also with the onsite S-O.
Roberto