Miranda.henrique: Created page with "{{DISPLAYTITLE:PHON_DOS}} {{TAGDEF|PHON_DOS| 0 {{!}} 1 {{!}} 2 }} {{DEF|PHON_DOS|0|}} Description: Select the approach to use when computing the phonon density-of-states (DOS..."

2022-08-11T12:31:40Z

Created page with "{{DISPLAYTITLE:PHON_DOS}} {{TAGDEF|PHON_DOS| 0 {{!}} 1 {{!}} 2 }} {{DEF|PHON_DOS|0|}} Description: Select the approach to use when computing the phonon density-of-states (DOS..."

New page

{{DISPLAYTITLE:PHON_DOS}}
{{TAGDEF|PHON_DOS| 0 {{!}} 1 {{!}} 2 }}
{{DEF|PHON_DOS|0|}}

Description: Select the approach to use when computing the phonon density-of-states (DOS).

----

The possible values are

{| class="wikitable"
|-
! PHON_DOS !! Function
|-
| 0 || The phonon DOS computation is not performed.
|-
| 1 || A gaussian broadening function with a width specified by {{TAG|PHON_SIGMA}} is used.
|-
| 2 || The tetrahedron method is used.
|}

To get a representative density of states the {{FILE|QPOINTS}} file should specify a regular mesh.
When line mode in the {{FILE|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.
{{NB|mind| Only available as of VASP 6.4.0.}}
==Related tags and articles==
{{FILE| QPOINTS}},
{{TAG | PHON_NWRITE}},
{{TAG | LPHON_POLAR}},
{{TAG | PHON_DIELECTRIC}},
{{TAG | PHON_BORN_CHARGES}},
{{TAG | PHON_G_CUTOFF}},
{{TAG | PHON_SIGMA}},
{{TAG | PHON_NEDOS}}

{{sc|LPHON_DISPERSION|Examples|Examples that use this tag}}

[[Category:INCAR tag]][[Category:Phonons]]

PHON DOS - Revision history

Miranda.henrique: Created page with "{{DISPLAYTITLE:PHON_DOS}} {{TAGDEF|PHON_DOS| 0 {{!}} 1 {{!}} 2 }} {{DEF|PHON_DOS|0|}} Description: Select the approach to use when computing the phonon density-of-states (DOS..."