VELOCITY: Difference between revisions
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Description: {{TAG|VELOCITY}} determines whether the ionic velocities are written to the {{FILE|vaspout.h5}} file during an MD run. | Description: {{TAG|VELOCITY}} determines whether the ionic velocities are written to the {{FILE|vaspout.h5}} file during an MD run. | ||
{{NB|mind|This tag is only available as of VASP.6.4.0.}} | |||
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Revision as of 06:16, 21 October 2025
VELOCITY = [logical]
Default: VELOCITY = .false.
Description: VELOCITY 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
LH5, Sampling phonon DOS from molecular dynamics simulation