Dear WIEN2k community I am trying to add atoms on top of graphene. Since it is a weak bond I need to use Non Local Van der Waals functional so I add Grafeno-M.innlvdw and run nohup run -p -nlvdw -NI & and then nohup run -p -nlvdw -NI -min -fc 1 & What happens is that the forces start to increase, so I run nohup run -p -nlvdw -NI & and when I run nohup run -p -nlvdw -NI -min -fc 1 & the forces are small again, but they increase again, and so on. Is there a way so that the forces do not increase? Should I modify Grafeno-M.inM
Saludos Pablo
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html