QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: dua.harkishan@yahoo.com on September 18, 2022, 13:25

Title: How to resume an NEB calculation in QuantumATK?
Post by: dua.harkishan@yahoo.com 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?