velocity.out

This file contains the velocities of the atoms sampled at a given frequency. It produced when invoking the dump_velocity keyword.

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)
...

  • There are three columns, corresponding to the \(x\), \(y\), and \(z\) 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 \(x\) component of the m-th atom in the n-th frame.

  • vy_m(n) is the \(y\) component of the m-th atom in the n-th frame.

  • vz_m(n) is the \(z\) component of the m-th atom in the n-th frame.

  • Velocity components are in units of Å/fs.