Dear all: Is it possible for Wien2k to calculate the partial contribution of electrons to the elnes separately, such as 2p to 3d, 2p to 4s? how to do it? thanks best regards -------------- next part -------------- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090114/937acf3a/attachment.html