asked by Marie-Anne Arrio (2022/11/02 18:37)
With the last version (autumn 2022), I get the following warning (not appearing with the previous version): “Eigensystem called with an operator that is not fully Hermitian Strongly sugested to stop the calculation and repair this”
My script is calculating XAS/XMCD at L2,3 edges for Fe3+ in C3v symmetry including MLCT. It was running without any warning message with the previous version.
Best regards
MarieAnne