VELOCITY: Difference between revisions
(Created page with "{{TAGDEF|VELOCITY|[logical]|.false.}} Description: {{TAG|VELOCITY}} determines whether the ionic velocities are written to the {{FILE|vaspout.h5}} file during an MD run. == Related tags and articles == {{TAG|LH5}}, Sampling phonon DOS from molecular dynamics simulation {{sc|VELOCITY|Examples|Examples that use this tag}} ---- Category:INCAR tagCategory:Molecular dynamicsCategory:Phonons") |
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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. | ||
---- | |||
You can use {{py4vasp|url=calculation/velocity/}} to read the velocities into a Python dictionary | |||
<syntaxhighlight lang="python"> | |||
from py4vasp import calculation | |||
calculation.velocity.read() | |||
</syntaxhighlight> | |||
or to visualize the velocity in the crystal structure | |||
<syntaxhighlight lang="python"> | |||
from py4vasp import calculation | |||
calculation.velocity.plot() | |||
</syntaxhighlight> | |||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 13:25, 20 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.
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