Unit of velocity

Rad rad.... at arl.army.mil
Wed Mar 12 14:27:35 UTC 2008


Dear All,

I am working on a trajectory and velocities generated by Jan 2007
version of cp2k. In this run, the input was set up to print the
velocities in atomic format and the ouput velocities happened to be in
binary. Is this correct and if so could someone provide details of the
format for me to parse the velocities. Also it appears the velocties
printed in the velocities file and that are printed in restart file
are different. In restart file it is bohr or angstrom per a.u. what is
the unit in the velocities file?

Thanks
Rad

On Feb 27, 1:48 pm, Teodoro Laino <teodor... at gmail.com> wrote:
> HiRad,
>
> atomic units. Everytime/everywhere the unit is not specified assume  
> it to be atomic units.
> Ciao,
> Teo
>
> On 27 Feb 2008, at 18:32,Radwrote:
>
>
>
>
>
> > Dear All,
>
> > Could someone please tell me the unit of velocity printed in the
> > restart file?
>
> > Thanks
>
> >Rad- Hide quoted text -
>
> - Show quoted text -


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