VELOCITY

From VASP Wiki

VELOCITY = [logical]
Default: VELOCITY = .false. 

Description: Determines whether the ionic velocities are written to the vaspout.h5 file during an MD run.

Mind: This tag is only available as of VASP.6.4.0.

You can use py4vasp to read the velocities into a Python dictionary

from py4vasp import calculation
calculation.velocity.read()

or to visualize the velocity in the crystal structure

from py4vasp import calculation
calculation.velocity.plot()

Related tags and articles

Sampling phonon spectra from molecular-dynamics simulations


Workflows that use this tag