[CP2K-user] [CP2K:19077] thermal equilibration in cp2k

Shweta shwetalogon at gmail.com
Fri Jul 7 07:37:46 UTC 2023


Hi all,

Can anyone please help me with the thermal equilibration in cp2k. How to 
achieve gradual increase in temperature from 0K to 300K using Nose 
thermostat in cp2k? 

Many thanks !!

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