QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: SAKINA on August 19, 2015, 07:36

Title: calculate strain percentage
Post by: SAKINA on August 19, 2015, 07:36

 Dear all,


I have used the stretch cell to add strain into GNR.
However I am confused on how to calculate the percentage of the strain for GNR structure?
does the stretch factor in the builder is equivalent to the strain percentage?

Thank you in advance for your quick response.

Title: Re: calculate strain percentage
Post by: Jess Wellendorff on August 19, 2015, 08:51

Yes, you can introduce strain to the unit cell along one or more directions by using the stretch plugin. Make sure to "move" the atoms along with the stretching.
A stretch factor of 2.0 corresponds to 100% strain as compared to your initial structure.

Title: Re: calculate strain percentage
Post by: Nayab Shiraz on April 20, 2020, 20:10

What is the difference between moving and stretching atoms along the unit cell?