UT theoretical chemistry code forum

Thanks, graeme.
you mean that the force on each ion printed in OUTCAR is only included
f_spring_par plus f_perp (real force), right?

thanks, graeme. I think the force on each ion is not zero though convergence is reached. NEB scheme only requries that the force projected on string equals to zero, right? So, we cannot use EDIFFG to control the projected force, but the force on each ion.

Dear all:
I am calculate some reaction with NEB method.
Firstly, I set EDIFFG to positive value, and obtain a MEP.
However, when change EDIFFG to negative value, I
find a difference energy barrier with a smaller value.
In my opinion, since the imagines are the unstable structures,
the force ...