Author Topic: The r_13 parameter in Stiwe3Potential  (Read 553 times)

0 Members and 1 Guest are viewing this topic.

Offline lunna

  • New ATK user
  • *
  • Posts: 3
  • Country: sg
  • Reputation: 0
    • View Profile
The r_13 parameter in Stiwe3Potential
« on: February 9, 2018, 03:35 »
Dear ATK Users

For the cutoff parameter in Stiwe3Potential (https://docs.quantumwise.com/manuals/Types/Stiwe3Potential/Stiwe3Potential.html), r_0 and r_1 are the two cutoff distances for the 3-body contribution, I am confused what is r_13?

Best
Lunna

Offline Julian Schneider

  • QuantumWise Staff
  • ATK Guru
  • *****
  • Posts: 142
  • Country: dk
  • Reputation: 24
    • View Profile
Re: The r_13 parameter in Stiwe3Potential
« Reply #1 on: February 9, 2018, 11:17 »
The parameter r_13 can be used to set an additional cutoff, i.e. if r_13 is set greater or equal than zero and if the distance between particle_type1 and particle_type3 is greater than r_13 , then the three body interaction term V_3 is neglected. By default r_13 is set to a negative value, which means it is ignored.