QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Steven on May 24, 2017, 12:40

Title: Relation between Pressure applied and Density Mesh cut-off
Post by: Steven on May 24, 2017, 12:40

Hello  sir
               Is there any relationship between pressure applied to a configuration and the mesh cut -off? Please explain

Title: Re: Relation between Pressure applied and Density Mesh cut-off
Post by: Petr Khomyakov on May 26, 2017, 11:19

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.