Author Topic: A question about the NEB method in ATK2008.10  (Read 2883 times)

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Offline fangyongxinxi

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A question about the NEB method in ATK2008.10
« on: May 10, 2011, 07:47 »
Dear Sir,
I checked  the manual of ATK2008.10, and want to do a job by NEB method. My modle, as the attachments, is periodic crystal, the initial and final structures have different lattice constants and atom position. I wonder the NEB method in this ATK version can deal with this kind of job ? If it's ok, how to set the calculation parameters of the correspond lattice constants ?
Thank you.
« Last Edit: May 17, 2011, 05:31 by fangyongxinxi »