[Pw_forum] Initial velocities for MD run?

[German Samolyuk]

I did it by hands in subroutine dynamics_modyle.
I was calculating cascade in SiC.
If it's interestinf, I've attached function. If you uncomment lines
startsing from ! gds, it will initialise velosity of the particle
number 100
with velocity corresponding to energy 100 eV.
It's not a regular way, but if you need few calculation, it could work.

Best,
German Samolyuk,
ORNL, USA

PS; It's for version 4.1.1

On Mon, Jul 12, 2010 at 1:24 PM, Norbert Nemec
<Norbert.Nemec.List at gmx.de> wrote:
> Hi there,
>
> is there any way to specify initial velocities for a MD run? From what I see, only thermalization or zero velocites are possible.
>
> Ultimately, I want to do simulate a scattering process of two molecules.
>
> If this is not possible, I would consider implementing it. Does anyone have specific ideas about that?
>
> Greetings,
> Norbert
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