UT theoretical chemistry code forum

Firstly, I am sorry to ask this question here.

Thank you for your script "vef.pl". When I use it for the vasp 4.6.26 runs, it works well. However, recently, after I update the VASP code to the version 4.6.31, it can not work any more. I think the format of the VASP code may be changed.

It will be appreciated that you can update it.

Regards.

Have you compiled the VASP source code with our additional files from http://theory.cm.utexas.edu/vtsttools/downloads/ ? The script will only work properly if these files are a part of the source.

I haven't tried 4.6.31, but that's my guess. But if you have, can you be a little bit more specific on what happens when you run the script?

Yes, I compiled the VASP 4.6.31 code with all your provided sourcecode.

When the vasp4.6.26 is used, I can get the force and energy not only in a neb or dimer calculation, but also in a simple optimization calculation.

However, now, when I run this script for the vasp4.6.31 calculations, nothing is shown.

Ok, can you find 'FORCES: max atom, RMS' in your OUTCAR?

Sorry for my question!

It's the compilation error!

It's working now!