UT theoretical chemistry code forum

Thanks for your time!

One conclusion from "J. Chem. Phys. 128, 134106 (2008); doi: 10.1063/1.2841941" is:

"[...] global implementation of the L-BFGS method, in which interimage curvatures are included in the memory of the optimizer, is the most efficient approach. Also, we show that the FIRE optimizer tends to be more ...

Like others here I have problems with NEB convergence. I have been following the forum for a long time and have tried all advices given here. Even so, I never got a satisfactory result. If possible, I would like to have a reference file with a successful NEB calculation.

Thank you very much ...