Dear all users cp2k. I want to add impurity atoms in the cell but the calcul stops and displays a erreur.my question is that: this option is valid in the cp2k if yes, how we can declare this atom.and thank you. -------------- next part -------------- An HTML attachment was scrubbed... URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150629/8e7a5298/attachment.htm>