[SIESTA-L] How to eliminate or reduce vibration among molecules?

[Hongyu Shen]

Dear SIESTA users,

I wonder if the SIESTA can eliminate vibration among molecules like H20 or
CO2.

I have been tried to fix the x and y position, but it still has huge
vibration among the z direction.

So can SIESTA eliminate vibration or reduce it?

Thank you in advance.

Yours.