[CP2K-user] [CP2K:19294] Re: Query related quenching process in cp2k

[Matt Watkins]

The annealing parameter might do what you want. It multiplies the 
temperature (i.e. scales the velocities) by the annealing value you give at 
each timestep giving an exponential cooling. Just plot some different 
values to see if you can get a profile that seems reasonable. 
Alternatively run a series of simulations at different temps restarting 
everything except changing the temp.

On Thursday, 21 September 2023 at 06:34:51 UTC+1 Vahiya Mitanshu wrote:

> Hello cp2k users,
> I'm working on a metallic glass system. i am performing AIMD simulation 
> for ZrCu metallic system i have performed the melt generation run by 
> performing run at 1500 K temperature. To generate metallic glass we have to 
> perform fast quenching. Annealing parameter is available in thermostat but 
> i'm not much familiar how to use that for fast queching. I want to perform 
> quenching for which i am not getting idea how to quench using cp2k 
> parameters. so anyone can help about it?
>
> Thanks in advance,
> Mitanshu Vahiya
>

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