EAM force

[zenmasterfu]

I have been looking thru the code for the NEB, etc. I am interested in using the method, but not for DFT or ab-initio calculations. Hence I do not have access to VASP.

I have noticed that there is a call to a subroutine EAM_FORCE. Is this subroutine part of VASP or must it be supplied in additional to VTSTTools?

[graeme]

This was a little trick to evaluate an empirical (EAM) force and use that to replace the DFT force. This way, there was no error in the force and we could compare exactly to another code. It is only turned on with a compiler flag and the linking of another library.