UT theoretical chemistry code forum

Thanks for getting back to me. The endpoints, and both NEB and CI-NEB have identical KPOINTS, POTCARS and fixed atoms. The CI-NEB and NEB calculations have identical INCAR files to eachother. The endpoints have slightly different INCARS, with the same energy and force cutoffs as the band calculation...

Dear all, I have been trying to reproduce the pathway for a simple hydrogenation step for ethylene over a metal surface, which was calculated previously with NEB by a previous group member. When repeating the calculation with NEB (in VASP-5.2.12-vTST) I can reproduce the pathway and maximum image en...