Re: [Wien] Graphene + M

You are fundamentally misunderstanding what is taking place. You should not be worried that the forces appear to be increasing. Please read *Mixing for Dummies* carefully. Then read it a second time. Don't fiddle with case.inM, the program almost certainly is doing a good job. In DFT the energy

[Wien] Graphene + M

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,