A question in CI-NEB runing

[leon_qian]

Dear Sir,
When I use the following parameters in INCAR, I find that in one image the forces on atoms are abnormal (very large), and in others the forces are normal. Can the calcualtion be continued or restarted by using a more conservative POTIM (<0.1)?
I'm looking forward to your kind reply!
Thanks!

SYSTEM=NEB
ENCUT=340
LCLIMB=.True.
SPRING=-5
IMAGES=5

POTIM=0.1

electronic relaxation
EDIFF=1e-04
ISMEAR= 1

ionic relaxation
IBRION=3
NSW=1000
EDIFFG=-5e-02
NPAR=1
IALGO = 48
LWAVE = .FALSE.

[graeme]

Yes sure. It is good to use a small time step with a conservative optimizer until the forces on all images are < 1 eV/Ang.

[leon_qian]

Dear sir,
Thanks for your kind and quick reply.
I have another question. After dozens of steps, I check the forces on each image and find out in the saddle point the foreces on each atom have converged with respect to the convergency criteria, and I'm sure that the structure of saddle point is correct according to the literature. Then, can I end the NEB calculation and just optimize the saddle point only?
Thank you!

[graeme]

Yes, if you only care about the saddle point, you can stop the optimization when that image has converged.

[leon_qian]

Many many thanks!