UT theoretical chemistry code forum

Dear all,

I am not sure if the VTSTTOOLS has been compiled with the VASP version I use on the supercomputing cluster. I have emailed my system admin to confirm but haven't heard back. I am still waiting for his response.

In the meanwhile, I submitted a test NEB calculation with the tag 'LCLIMB = TRUE' in the incar with just 20 NSW. The calculation did not converge obviously, but the simulation did run and produced OUTCAR among other results.

My question is, is there any {grep xxx OUTCAR} way to check if the VTST tools has indeed been used in my calculation.

Thank you in advance,
M. M. Ghouri

Yes, you can grep for VTST; it should print something like: VTST: version 3.1, (03/28/14)
irrespective of what calculation you are doing.

Thank you.