Re: [ESPResSo-users] unit of magnetization

[Rudolf Weeber]

Hi,
On Mon, Jun 23, 2014 at 03:15:56PM +0200, Markus Gusenbauer wrote:
> Thanks for the fast reply. What happens if I use the DAWAANR
> interaction? 
Dawaanr is just the same.
inter magnetic 1 dawaanr

>I can't calculate lamda and alpha.
Why is that? Are you simulating at zero temperature?
In that case, you would have compare the dipolar interaction to an other energy 
scale you are using.
The energy per particle of two touching dipolar particles in the head-to-tail 
configuration in Espresso is
E =m^2 /r^3,
where m= dipole moment and r=distance between dipoles. This is for the bjerum 
length =1 case, mentioned before.
You can calculate this energy for the particles you are studying and then 
convert it to what ever energy scale you are using in your simulations.

Regards, Rudolf