Dear all, When I use isplit= -2, I get decomposition of V-d-orbitals into dz2, dx2-y2, dxy, dxz+dyz. How can I get dxz-dyz? Regards, Igor -------------- next part -------------- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20070917/925d2f1e/attachment.html