I would like to calculate the activation barrier and transition state between two structures with different lattice constants. This would require use of solid-state NEB I believe. Is this supported in ASE out-of-the-box? I did notice that there is a library tsase from the Henkelman group I believe that is an add-on to ASE. I was wondering if there are any examples of code that demonstrate its use.
I recall something was implemented relating to cell changes in NEB, but you’d probably have to look through the commit log and find out who implemented it, or possibly try the mailing list.