Author Topic: translational gliding /moving one surface relative to the other  (Read 3454 times)

0 Members and 1 Guest are viewing this topic.

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile
What is way of translational  gliding .....while interfacing b/w two structures  and  moving one surface relative to the other .....?? Is it the "Shift Surfaces" in x-y-z directions ?? If so..then how can  stack  the two individual layers, very precisely, for various possible arrangements?? 


Offline Umberto Martinez

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 479
  • Country: dk
  • Reputation: 26
    • View Profile
yes, with shift surfaces in the interface builder you can translate the two surfaces by specifying both cartesian or fractional coordinates.
very precise method I would say.
but I am not sure I understood what do you want to do exactly. If you can provide a more clear example we can give you more hints.

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile

Can I get the variation in total energy per atom..... as a function of  the gliding move of one of the surfaces  relative to the other....??

Actually, I wanted to find a stacking sequence.... between the two layers of the same material... where the total energy per atom reaches the global minimum.
« Last Edit: April 16, 2015, 12:08 by Dipankar Saha »

Offline Umberto Martinez

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 479
  • Country: dk
  • Reputation: 26
    • View Profile
You can translate the two layers/surfaces/atoms one relative to each other, calculate the total energy to find out which configuration is the most stable.

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile

Thank you Umberto ....  :)
Let me try that..... / I hope the results will be conclusive ....!!!