[CP2K-user] [CP2K:18028] Starting CP2K Simulations with different velocities

Imon Mandal imon.mandal at mail.huji.ac.il
Tue Nov 15 08:49:34 UTC 2022

Hello everyone,
                          I want to start 5 different NVT simulations from 
the same staring geometry but with different velocities for the atoms. As, 
the default velocity assignment involves random number generation for 
velocities scaled to the temperature, I excepted the default velocity 
initiation would provide me different velocities. But actually it generates 
exactly same velocity for each atom if I provide same temperature and 
geometry. Could you please comment why is this random velocity assignment 
generate the same velocity each time or how to generate different velocity 
for atoms at same temperature in CP2K?

Thanks in advance,

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