[CP2K-user] [CP2K:20096] Re: query related to annealing parameter

[Matt Watkins]

Currently there is no way to get a linear decrease only exponential. You 
can approximately do it by restarting runs with different thermostat 
temperatures.
Matt

On Wednesday 10 April 2024 at 09:47:56 UTC+1 Vahiya Mitanshu wrote:

> Hello cp2k users,
> I want to perform a fast quench on my atomic system, so that it can be in 
> an amorphous state. but i don't know how exactly the annealing parameter 
> works. I have started the run for quenching, The temperature is decreasing 
> but I want to fix that rate. Right now I don't know which equation I should 
> use so that I can take my temperature to my targeted temperature in a 
> particular timestep. So if anyone has any ideas please let me know. I have 
> attached my input file for melt and quench so if something is wrong in 
> that, I can make modifications.
>
> Thanking in advance,
> Mitanshu Vahiya
>

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