The velocity.out output file

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Brief Description

This file contains the velocities of the atoms sampled at a given frequency.

The keyword which produces the current file

File format

   vx_1(1) vy_1(1) vz_1(1)
   vx_2(1) vy_2(1) vz_2(1)
   ...
   vx_N(1) vy_N(1) vz_N(1)
   vx_1(2) vy_1(2) vz_1(2)
   vx_2(2) vy_2(2) vz_2(2)
   ...
   vx_N(2) vy_N(2) vz_N(2)
   ...

Explanations

  • There are three columns, corresponding to the [math]x[/math], [math]y[/math], and [math]z[/math] components of the velocity.
  • Each N consecutive lines correspond to one frame at a given time point.
  • The number of lines equals the number the number of frames times N.
  • vx_m(n) is the [math]x[/math] component of the m-th atom in the n-th frame.
  • vy_m(n) is the [math]y[/math] component of the m-th atom in the n-th frame.
  • vz_m(n) is the [math]z[/math] component of the m-th atom in the n-th frame.
  • Velocity components are in units of A ps-1.