QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: gaurav1201 on July 29, 2017, 19:37

Title: Binding energy
Post by: gaurav1201 on July 29, 2017, 19:37

How we can find the binding energy in vnl ATK?  (please provide the tutorial link)

Title: Re: Binding energy
Post by: Jess Wellendorff on July 31, 2017, 10:48

Depends a whole lot on what sort of binding energy you want to calculate, but here's an example of calculating the binding energy between graphene sheets:
http://docs.quantumwise.com/tutorials/dispersion_corrections_and_bsse/dispersion_corrections_and_bsse.html (http://docs.quantumwise.com/tutorials/dispersion_corrections_and_bsse/dispersion_corrections_and_bsse.html)