finding force
Posted: Fri Mar 16, 2012 2:46 am
Hello,
I am a new user of Vasp, and making DFT calculation for PES and the adsorption of Hydrogen on Pt, I am attaching Hydrogen on the surface of Pt with fixed X and Y axises, what I want to know is where to find the force of H atom of X axis??
I appreciate any help.
I am a new user of Vasp, and making DFT calculation for PES and the adsorption of Hydrogen on Pt, I am attaching Hydrogen on the surface of Pt with fixed X and Y axises, what I want to know is where to find the force of H atom of X axis??
I appreciate any help.