PHON NWRITE: Difference between revisions

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{{TAGDEF|PHON_NWRITE|.TRUE. {{!}} .FALSE. }}
{{DISPLAYTITLE:PHON_NWRITE}}
{{DEF|PHON_NWRITE|.FALSE.|}}
{{TAGDEF|PHON_NWRITE|[integer]}}
{{DEF|PHON_NWRITE|1|}}


Description: {{TAG|PHON_NWRITE}}  
Description: {{TAG|PHON_NWRITE}}  
Determines how much output is written to the {{FILE|OUTCAR}} file when computing the phonon dispersion {{TAG|LPHON_DISPERSION}}=.TRUE.
determines how much output is written to the {{FILE|OUTCAR}} file when computing the phonon dispersion {{TAG|LPHON_DISPERSION}}=.TRUE.


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! PHON_NWRITE !! Description
! PHON_NWRITE !! Description
|-
|-
|  2 || For each q-point, write the same as 1 and then the phonon modes with the displacement of each atom in the three cartesian directions per line
|  2 || For each q point, write the same as 1 and then the phonon modes with the displacement of each atom in the three cartesian directions per line.
|-
|-
|  1 || For each q-point, q-point coordinates are written in one line and the phonon frequencies are written one branch per line in different units.
|  1 || For each q point, q-point coordinates are written in one line and the phonon frequencies are written one branch per line in different units.
|-
|-
|  0 || No phonon output is written to OUTCAR
|  0 || No phonon output is written to OUTCAR.
|-
|-
| -1 || For each q-point, only a single line is written containing q-point coordinates and frequencies.
| -1 || For each q point, only a single line is written containing q-point coordinates and frequencies.
|-
|-
| -2 || For each q-point, q-point coordinates and frequencies are written in separate blocks and frequencies are reported in different units.
| -2 || For each q point, q-point coordinates and frequencies are written in separate blocks and frequencies are reported in different units.
|-
|-
| -3 || Like -2, but in addition, the phonon eigenvectors are written for each q-point.
| -3 || Like -2, but in addition, the phonon eigenvectors are written for each q point.
|}
|}
{{NB|mind| Only available as of VASP 6.3.2.}}
{{NB|mind| Only available as of VASP 6.3.2.}}
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{{FILE| QPOINTS}},
{{FILE| QPOINTS}},
{{TAG | LPHON_DISPERSION}},
{{TAG | LPHON_DISPERSION}},
{{TAG | PHON_NWRITE}},
{{TAG | LPHON_POLAR}},
{{TAG | LPHON_POLAR}},
{{TAG | PHON_DIELECTRIC}},
{{TAG | PHON_DIELECTRIC}},
{{TAG | PHON_BORN_CHARGES}},
{{TAG | PHON_BORN_CHARGES}},
{{TAG | PHON_G_CUTOFF}},
{{TAG | PHON_G_CUTOFF}}
{{TAG | PHON_DOS}},
{{TAG | PHON_SIGMA}},
{{TAG | PHON_NEDOS}}
 


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


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

Latest revision as of 10:48, 23 October 2023

PHON_NWRITE = [integer] 

Default: PHON_NWRITE = 1

Description: PHON_NWRITE determines how much output is written to the OUTCAR file when computing the phonon dispersion LPHON_DISPERSION=.TRUE.


Positive numbers mean human-readable output, and negative numbers mean one-line format. The available options are:

PHON_NWRITE Description
2 For each q point, write the same as 1 and then the phonon modes with the displacement of each atom in the three cartesian directions per line.
1 For each q point, q-point coordinates are written in one line and the phonon frequencies are written one branch per line in different units.
0 No phonon output is written to OUTCAR.
-1 For each q point, only a single line is written containing q-point coordinates and frequencies.
-2 For each q point, q-point coordinates and frequencies are written in separate blocks and frequencies are reported in different units.
-3 Like -2, but in addition, the phonon eigenvectors are written for each q point.
Mind: Only available as of VASP 6.3.2.

Related tags and articles

QPOINTS, LPHON_DISPERSION, LPHON_POLAR, PHON_DIELECTRIC, PHON_BORN_CHARGES, PHON_G_CUTOFF

Examples that use this tag