[CP2K:457] Annealing with NPT_F

Teodoro Laino teodor... at gmail.com
Thu Dec 6 17:16:23 CET 2007


Hi Rad,

the annealing is only affecting the particle velocity at the moment..
I can extend it also to the barostat/thermostat, but it would then  
require an extensive
testing from your side to check really whether it works or not..

let me know
teo

On 6 Dec 2007, at 16:32, Rad wrote:

>
> Hi,
>
> Is it possible to do temperature annealing with NPT_F to simulate
> variable cell minimization? If so what would be an acceptable
> annealing parameter?
>
> Rad
> >




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