NEB convergence problem
Posted: Mon Jun 26, 2023 4:51 pm
Dear Experts,
I am facing the convergence issue in one of the NEB calculations for one 2d system. After 132 iterations, I didn't get the convergence, and the run time was over.
Please suggest if any changes I can do to achieve convergence or please suggest if something wrong in my input files.
https://drive.google.com/file/d/1Y4OYhx ... drive_link
I am facing the convergence issue in one of the NEB calculations for one 2d system. After 132 iterations, I didn't get the convergence, and the run time was over.
Please suggest if any changes I can do to achieve convergence or please suggest if something wrong in my input files.
https://drive.google.com/file/d/1Y4OYhx ... drive_link