[CP2K-user] [CP2K:19636] Query related to quenching

Vahiya Mitanshu vahiyamitanshu at gmail.com
Thu Dec 7 09:50:32 UTC 2023


Hello cp2k users,
I'm performing quenching of the ZrCu system.I have generated the melt
system. Now I want to generate an amorphous structure. So I've used an
annealing parameter. As in the annealing process we can not use a
thermostat. So we can not apply an ensemble which has a thermostat. So I
started the run but the temperature is going out of control. Is there any
other parameter i have to set in the file. I've attached the input and ener
file for reference.

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