PHON NWRITE: Difference between revisions

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


Description: {{TAG|PHON_NWRITE}}  
Description: {{TAG|PHON_NWRITE}}  
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{{sc|LPHON_DISPERSION|Examples|Examples that use this tag}}
{{sc|LPHON_DISPERSION|Examples|Examples that use this tag}}
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[[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