CCL:G: NEB calculations with Gaussian using the ASE interface?



 Sent to CCL by: "Roar A. Olsen" [Roar.A.Olsen%x%sintef.no]
 Hello,
 I am wondering whether any CCLers have experience with running Nudged Elastic
 Band (NEB) calculations with the Gaussian electronic structure code using the
 Atomic Simulation Environment (ASE)?
 I would be very interested in "inheriting" a python script setting up
 such a calculation, but also to hear about experiences related to convergeing
 the NEB to a reaction path for a molecular reaction. Any special
 "tweaking" of Gaussian input parameters needed for successful NEB runs
 in ASE?
 Thanks for any help in this matter!
 Best regards,
 Roar A. Olsen
 (Roar.A.Olsen:at:sintef.no)