How to create input files for TS search
Posted: Mon Mar 28, 2022 6:26 am
I'm searching for TS for my reactions. I have optimized all initial and final states and now I have all optimized CONTCARs. I want to create the correct files such as INCAR and script for run. I have created POSCAR_initial , POSCAR_final, POTCAR, neb-params, and KPOINTS. I really need help. I need the correct and appropriate INCAR and script files.