[CP2K-user] [CP2K:20093] query related to annealing parameter

Vahiya Mitanshu vahiyamitanshu at gmail.com
Wed Apr 10 08:47:37 UTC 2024


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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