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Update README.md
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Asif-Iqbal-Bhatti authored Sep 2, 2020
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# Nudge-Elastic-band

Keep in mind the settings for the NEB calculations. These can be tricky at times.
NB: The settings for the NEB calculations can be tricky at times therefore, caution should be taken while using the provided code.

The barrier obtained (Ta: 46.3 meV/b) with this setup agrees favorably with
the values given in the references. Hence, I can be sure my setup is right,
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