QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: abhishek77492652 on August 21, 2017, 21:48

Title: stress
Post by: abhishek77492652 on August 21, 2017, 21:48

how we can apply stress on 2d materials in vnl atk ?

Title: Re: stress
Post by: Jess Wellendorff on August 21, 2017, 22:12

2 ways:
1. manually change the lattice parameters of the marial, or
2. use non-zero target stress in OptimizeGeometry.

I suggest you search the online documentation for answers to such questions: https://docs.quantumwise.com/tutorials/uniaxial_biaxial_stress/uniaxial_biaxial_stress.html (https://docs.quantumwise.com/tutorials/uniaxial_biaxial_stress/uniaxial_biaxial_stress.html)