I would like to know what is the cutoff calculated by the “dynamical_matrix” command, is this the default or can it be modified?
There is no cutoff keyword in the “dynamical_matrix” command documentation, so what cutoff are you referring to?
The dynamical matrix is the interaction of atoms.
What I mean is how far can interatomic interactions go?
For example, the i-th atom is determined, what’s the most long distance of j-th atom?
The dynamical_matrix command doesn’t care about that. This is set by setting up your force field just like in a regular MD simulation.
Clear.
Thank you for your reply.