Problem with NEB convergence
Posted: Mon Jun 30, 2025 7:59 pm
Hello,
I’ve been trying to converge my NEB calculation using VASP, but so far I haven't had any success. I experimented with different settings (like IBRION, POTIM, etc.) and used 5 images to interpolate between the initial and final structures. Some of my input and output files are attached. Could someone please review them and offer suggestions on how to get the calculation to converge?