What to run after diminit

[amishkin]

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

[graeme]

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

[amishkin]

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

[graeme]

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

[amishkin]

Thank you very much!