[CP2K-user] [CP2K:20117] Temperature decreases in NVT AIMD simulation.
Madhurja Buragohain cy22d015
cy22d015 at smail.iitm.ac.in
Fri Apr 19 20:05:15 UTC 2024
Dear all,
I'm trying to do NVT AIMD for a system (salt surrounded by solvent
molecules).
I was set temperature to 300K, but after several steps, it decreases to 150
K . I was used NOSE-HOOVER thermosat, with timecon 100.
Any help would really appreciated.
Thanks
Best,
Madhurjya.
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