Is it possible to input velocities of some atoms in OpenMX molecular dynamics? I want to carry out the simulation of hydrogen moving to graphite, but I don’t know how to input velocity of hydrogen atom.
Re: Velocities in MD( No.1 )
Date: 2006/11/04 01:28
It is possible to give the initial velocity of each atom in the Ver.3.1. See also the 'What's new'.