Dear Prof. Peter BALAHA after running an scf calc i 'v got a negative value of force FGL009 for my supercell can you tell me what does it mean in general Best regards, Tim -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110526/73400b98/attachment.htm>