[Pw_forum] Molecular dynamics with change of temperature

[Paolo Giannozzi]

Mansoureh Pashangpour wrote:

> I would like to perform a MD simulation with increasing temperature for 
> it .I am doing this simulation by change of T manually .Is there any 
> instruction to do this automaticlly?

not in CP, I think. In PWscf, see variable "nraise" and "deltaT".

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy