Dear all, Is there any possibility to do NEB calculation for QM part of QM/MM setup. if so, dose any one have example of input file? Thanks for your attentions and reply in advance. Narjes -------------- next part -------------- An HTML attachment was scrubbed... URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150303/af9286c4/attachment.htm>