UT theoretical chemistry code forum

Dear admin You were correct. By adding dist.pl to the path the distances between the images are calculated normally. I would like to ask you one final thing Recently I tried more calculations for the same jump described in my previous posts. Based on the vtst site I tried a Solid State Nudged Elasti...

I will put all vtst tools in one folder, I will also follow your advice regarding precision in the future
Thank you once again for your valuable help
Best Regards Alexandros

Thank you very much for your quick reply, I checked that the vtst is installed (in OUTCAR "VTST: version 3.0c) for some reason the last column of the neb.file did not get copied, the full neb.file looks like this. 0 0.0000 0.0000 0.0000 1 0.0000 0.1783 -0.083557 2 0.0000 0.3784 -0.103077 3 0.00...

Good day, I would like to ask you a question regarding the importance of drift in NEB results. I am considering a hop from the minimum configuration of my system to a local minimum nearby 88meV higher in energy (indicated in the attached figure) (system TiO2, hopping ion Na) Process: I relaxed to fi...