About the EDIFFG-tag
Posted: Sat Jul 24, 2010 5:08 am
For the EDIFFG-tag, it says "If the change in the total (free) energy is smaller than EDIFFG between two ionic steps relaxation will be stopped."
I wonder if EDIFFG is the absolute change of the total energy. And what's the unit for EDIFFG? eV?
Thanks a lot.
I wonder if EDIFFG is the absolute change of the total energy. And what's the unit for EDIFFG? eV?
Thanks a lot.