dpdt.out

This file contains the time derivative of the polarization and its time integration. The integration assumes a starting value of zero for the polarization. It is produced when invoking compute_dpdt keyword in the run.in input file.

File format

The file is organized as follows:

• column 1: time (in units of fs)

• column 2: time derivative of the polarization in the \(x\) direction \(dP_x/dt\) (in units of e A / fs)

• column 3: time derivative of the polarization in the \(y\) direction \(dP_y/dt\) (in units of e A / fs)

• column 4: time derivative of the polarization in the \(z\) direction \(dP_z/dt\) (in units of e A / fs)

• column 5: polarization in the \(x\) direction \(P_x\) (in units of e A)

• column 6: polarization in the \(y\) direction \(P_y\) (in units of e A)

• column 7: polarization in the \(z\) direction \(P_z\) (in units of e A)