UT theoretical chemistry code forum

Hello,
What code runs the dimer convergence after it has been created with diminit?
Thanks,
Alec

These scripts are set up to work with vasp, with our VTSTcode linked in.

But isn't there a part of your package that does the dimer convergence? Like calculating the curvature and then rotating the dimer and checking force gradients, etc. I saw in akmc.pl that the GetCurvature is defined but it does not look like it is ever called.
Thanks for the help,
Alec

Oh yes, I see, you want to set ICHAIN=2 following the instructions here:
http://theory.cm.utexas.edu/vtsttools/dimer.html

Thank you very much!