« previous next »
Pages: [1]   Go Down

Author Topic: calculate strain percentage  (Read 6746 times)

0 Members and 1 Guest are viewing this topic.

Offline SAKINA

  • Heavy QuantumATK user
  • ***
  • Posts: 26
  • Country: my
  • Reputation: 0
    • View Profile
calculate strain percentage
« 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.
Logged

Offline Jess Wellendorff

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 933
  • Country: dk
  • Reputation: 29
    • View Profile
Re: calculate strain percentage
« Reply #1 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.
Logged

Offline Nayab Shiraz

  • Heavy QuantumATK user
  • ***
  • Posts: 51
  • Country: us
  • Reputation: 0
    • View Profile
Re: calculate strain percentage
« Reply #2 on: April 20, 2020, 20:10 »
What is the difference between moving and stretching atoms along the unit cell?
Logged
Pages: [1]   Go Up
« previous next »