UT theoretical chemistry code forum

Hi, all!
Does anyone know whether vtst is compatible with VASP vdw correction (optB88-vdW)? I'm runing a NEB calculation. Unfortunately, it doesn't converge after almost 80 iteration. There are 14 images in total. I already check the bond length in initial images are not too short. I'm guessing the vdw correction in my INCAR may cause the convergence problem.

I really have no idea why it won't converge. Does anyone have a clue?

Many thanks!!

There should not be any coupling between VDW and the VTST code. Did you try to converge without the VDW interactions?

If you post the calculation, I can take a look at it.