ic.out

This file contains the iron conductivity (IC) based on mean-square displacement (MSD). It is generated when invoking the compute_msd keyword.

File format

The data in this file are organized as follows:

  • column 1: correlation time (in units of ps)

  • column 2: IC (in units of mS/cm) in the \(x\) direction

  • column 3: IC (in units of mS/cm) in the \(y\) direction

  • column 4: IC (in units of mS/cm) in the \(z\) direction

Only the element selected which in potential via the arguments of the compute_msd_keyword is included in this output.