Dear all, What does "restart" in the case.dayfile mean as is shown in the following: :ENERGY convergence: 1 0.00001 .0000001850000000 :CHARGE convergence: 1 0.00001 -.0000052 restart > stop
Best wishes! Mingcui Tongji university,China -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120925/2ac880f1/attachment.htm>