This file contains the electron group velocity from linear-scaling quantum transport (LSQT) calculations. It is produced when invoking the compute_lsqt keyword in the input file.

File format

  • Each row contains the electron group velocity values (in units of m/s) for the specified energies.

  • The number of columns equals the number of energy points.

  • Different rows are from different time points in the MD simulation (supposed to be an equilibrium one), which can be averaged.

  • Data within band gaps are not reliable and should not be trusted.