Author Topic: How to resume an NEB calculation in QuantumATK?  (Read 46 times)

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Offline dua.harkishan@yahoo.com

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How to resume an NEB calculation in QuantumATK?
« on: September 18, 2022, 13:25 »
I wish to perform an CI-NEB calculation in QuantumATK with about 41 images. But due to power related issues, the machine got shut-down in the middle of the calculation. How can I resume the calculation?