[lammps-users] how to evaluate force at high temp?

Dear Lammps users,

In a shear deformation Molecular statics simul.(i.e. temperature 0K ) we get a unique value of force after minimization for upper(displacement applied) as well as lower(fixed) regions.

but for high temp simulation, because atoms are vibrating unique value is not achived while dumping the forces.

then how to evaluate the force such that the upper as well as lower regions have the force values near about same.
i used ave/atom command to average the force of 5000 simulation steps, it is not giving required result.

then how to evaluate the forces at high temp?

please help me.

with best regards

After you shear to some new strain value, if you stop and
just run MD at the new sheared state for a long enough time,
the system should come into equilibrium. And by symmetry
the upper and lower surfaces/regions should then experience
the same force. Unless you have sheared so quickly and
created defects that make for an asymmetric geometry
(e.g. most of the defects at one end).