[Pw_forum] Temperature continuously going down in cp.x run

[Paolo Giannozzi]

On Nov 28, 2009, at 16:08 , vega lew wrote:

> By the way, during the NVE calculation, is there a command
> to keep the energy of the system?

what do you mean? the total (kinetic+potential) energy is
conserved during a (well-executed) NVE calculation. If you
keep the kinetic energy constant (which you can do using
velocity rescaling) it is no longer NVE

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222