Dear all When relax ,which algorithm is better ? Bfgs or damp ? I use bfgs,but find it very slow . Anybody who know about this ,please give some advice ,thank you . Q J Wang XiangTan University -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20081130/e722daab/attachment.html>