VELOCITY: Difference between revisions
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{{TAGDEF|VELOCITY|[logical]|.false.}} | {{TAGDEF|VELOCITY|[logical]|.false.}} | ||
Description: | Description: Determines whether the ionic velocities are written to the {{FILE|vaspout.h5}} file during an [[Molecular-dynamics calculations|MD run]]. | ||
{{NB|mind|This tag is only available as of VASP.6.4.0.}} | |||
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== Related tags and articles == | == Related tags and articles == | ||
[[Sampling phonon spectra from molecular-dynamics simulations]] | |||
{{sc|VELOCITY| | {{sc|VELOCITY|Howto|Workflows that use this tag}} | ||
[[Category:INCAR tag]][[Category:Molecular dynamics | [[Category:INCAR tag]][[Category:Molecular dynamics]] | ||
Latest revision as of 12:19, 22 October 2025
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()