Because you've still one gradient that is large.... Teo On 5 Oct 2007, at 18:36, Luca wrote: > Max. gradient = 0.0040732619 > Conv. limit for gradients = 0.0004500000 -------------- next part -------------- An HTML attachment was scrubbed... URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20071005/919685f3/attachment.htm>