VELOCITY: Difference between revisions

Revision as of 06:02, 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()

@@ Line 1: / Line 1: @@
 {{TAGDEF|VELOCITY|[logical]|.false.}}
-Description: {{TAG|VELOCITY}} determines whether the ionic velocities are written to the {{FILE|vaspout.h5}} file during an MD run.
+Description: 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.}}
 ----
@@ Line 17: / Line 17: @@
 == Related tags and articles ==
-{{TAG|LH5}}, [[Sampling phonon DOS from molecular dynamics simulation]]
+[[Sampling phonon spectra from molecular-dynamics simulations]]
@@ Line 23: / Line 23: @@
 ----
-[[Category:INCAR tag]][[Category:Molecular dynamics]][[Category:Phonons]]
+[[Category:INCAR tag]][[Category:Molecular dynamics]]