dpdt.out

This file contains the time derivative of the polarizability and its time integration. It is produced when invoking compute_dpdt keyword in the run.in input file.

File format

The file is organized as follows:

  • column 1: \(dP_x/dt\) (in units of e A / fs)

  • column 2: \(dP_y/dt\) (in units of e A / fs)

  • column 3: \(dP_z/dt\) (in units of e A / fs)

  • column 4: \(P_x\) (in units of e A)

  • column 5: \(P_y\) (in units of e A)

  • column 6: \(P_z\) (in units of e A)