Author Topic: Relation between Pressure applied and Density Mesh cut-off  (Read 1728 times)

0 Members and 1 Guest are viewing this topic.

Offline Steven

  • Heavy QuantumATK user
  • ***
  • Posts: 30
  • Country: in
  • Reputation: 0
    • View Profile
Hello  sir
               Is there any relationship between pressure applied to a configuration and the mesh cut -off? Please explain

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
You have to converge the total energy and other physical quantities of interest with respect to the mesh density for a given pressure applied. I guess this is the only way to actually see if there exists any significant dependence of the density mesh cut-off on the external pressure. It is very likely to be insignificant for low pressure, and it might become an issue when the pressure is high, but this is a matter of numerical experiment to figure out what is low and high for your specific system.