dos.out

This file contains the data of the phonon density of states (PDOS). It is produced when invoking compute_dos keyword in the run.in input file.

File format

The file is organized as follows:

  • column 1: angular frequency \(\omega\) (in units of THz)

  • column 2: DOS (in units of 1/THz) in the \(x\) direction

  • column 3: DOS (in units of 1/THz) in the \(y\) direction

  • column 4: DOS (in units of 1/THz) in the \(z\) direction

If there are multiple groups to be calculated as specified in the compute_dos keyword, data will be output group by group, each occupying the same number of rows (the number of frequency points).