Dear wien users, I have known how to take into account the core hole effect from your help. Thanks very much! BoKang --------------------------------- 抢注雅虎免费邮箱-3.5G容量,20M附件! -------------- next part -------------- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20070712/080f28cf/attachment.html