[CP2K-user] [CP2K:18029] Re: Starting CP2K Simulations with different velocities

[Marcella Iannuzzi]

Hi Imon
The random numbers generator uses always the same seed, to be able to 
guarantee reproducible simulations. 
Though the seed can be changed from input

   - SEED <https://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html#list_SEED>

Regards
Marcella

On Tuesday, November 15, 2022 at 9:49:34 AM UTC+1 imon.... at mail.huji.ac.il 
wrote:

> 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,
> Imon
>

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