[Towhee-users] general question

[Sebastien g. <gr...@CA...>]

Dear Towhee users and developers,

I never used monte carlo simulation before so I apologize if my 
questions are too easy.

What I want to do?
I am interested to look at the effect of hydrogen on the dislocation 
activity in magnesium, using different concentration of hydrogen. Using 
a simulation box with a dislocation in the middle, I am interested to 
do some monte carlo to charge the magnesium simulation cell with 
hydrogen. After that, I want to use the output file generated with the 
monte carlo run to perform some molecular statics and molecular 
dynamics calculations.

(1) Could you tell me if in the example directory I can find something 
similar to what I want to do? I does not have to be hydrogen. It can be 
a metal X that you want to charge with a gas Y.
(2) Can I do monte carlo at 0K? (probably no, but I want confirmation).

Thanks,
Sebastien