[ase-users] ASE.NEB with vasp

[Duy Le]

Dear all,

Is there anyway that I can use ase.neb with vasp calculator? What I am
trying to do is to parallel over images. I can not do this job with
vasp because it got crashed for large number of cores (526cores). It
took me to much time to recompile but still does not work.

I need something like communicator=ranks in GPAW calculator, so that I
can attribute cores (up to 64) to each image separately.

If anyone has hint, please let me know.

Thank you
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Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"