lsqt_dos.out

This file contains the electronic density of states (DOS) from linear-scaling quantum transport (LSQT) calculations. It is produced when invoking the compute_lsqt keyword in the run.in input file.

File format

• Each row contains the DOS values (in units of states/atom/eV) 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.