can some one tell me how to calculate charge on Cr atoms of of CrAl cluster. i need to get values for 3d,4s and 4p . i did a npa analysis .how can i get charge values from analysing data.plz -------------- next part -------------- An HTML attachment was scrubbed... URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20151218/a8009c98/attachment.htm>