Hello All

I've a doubt related to the effect of geometry optimization process on the tempreture of the system.  suppose I've a system equilibrated at a particular tempreture by running NVT or NPT dynamics on it for some suitable number of steps. now, if I am running some geometry optimization algorithm on that equilibrated system, what effect it would cause on the temperature of the system? to be specific, would the geometry optimization or energy minimization process reduce the delibrately obtained temperature to absolute zero? or it would only affect the potential energy by making it to be the minimum.

If the second option is correct then what is the purpose of geometry optimization process in the annealing and Quenching tasks?

Actually my purpose is to obtain a amorphous system equilibrated at atomospheric pressure and at different values of tempretures, having zero internal stresses and with optimum arrangement of the constituent molecules at each value of temperature. I use Anneal and Quench task with repeated geometry optimizations, for doing this.

I'll highly appreciate any comments in this regards.

Regards

Kishore