Dear wien2k user, in wien2k during scf cycle, how can we see the total charge convergence???????? i mean? total charge not atom by atom..................
please tell me i will be very thankful to you... Regards Arqum Hashmi -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120320/de0811d3/attachment.htm>