UT theoretical chemistry code forum

Thank you so much for your reply! Based on what you said it seemed like there was likely a problem with the implementation of the VTST on in VASP at NERSC. I worked with the admins there and we were able to fix the problem; the "NEB: projections" line is now printing correctly :) Thanks fo...

Hello, I am running VASP 5.3.5 implemented with the VTST tools on NERSC and when I run the current version of nebbarrier.pl (downloaded yesterday from http://theory.cm.utexas.edu/vtsttools/scripts.html) I get all zero forces for the intermediate images in the neb.dat file: 0 0.000000 0.000000 -0.033...