What files generated from the converged computations
Posted: Tue Oct 19, 2010 2:13 pm
For the barrier use of NEB I have performed computations by VASP and the results have been converged for 4 images. OUTCAR and STDOUT files have been generated in In the subdirectories 0X for the OX/POSCARS. Are these two files OUTCAR and STDOUT or one of them sufficient to generate climbing image? How can I derive the dependence energy vs reaction coordinate? Thank you.