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 tend...

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. Ricardo.