PHON_DOS
PHON_DOS = 0 | 1 | 2
| Default: PHON_DOS | = 0 |
Description: Select the approach to use when computing the phonon density-of-states (DOS).
The possible values are
| PHON_DOS | Function |
|---|---|
| 0 | The phonon DOS computation is not performed. |
| 1 | A gaussian broadening function with a width specified by PHON_SIGMA is used. |
| 2 | The tetrahedron method is used. |
To get a representative density of states the QPOINTS file should specify a regular mesh. When line mode in the QPOINTS file and gaussian smearing (PHON_DOS=1) is used, the phonon density of states will still be computed but the results are not reliable.
| Mind: Only available as of VASP 6.4.0. |
Related tags and articles
QPOINTS, PHON_NWRITE, LPHON_POLAR, PHON_DIELECTRIC, PHON_BORN_CHARGES, PHON_G_CUTOFF, PHON_SIGMA, PHON_NEDOS