PHON NWRITE: Difference between revisions
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{{DISPLAYTITLE:PHON_NWRITE}} | {{DISPLAYTITLE:PHON_NWRITE}} | ||
{{TAGDEF|PHON_NWRITE| | {{TAGDEF|PHON_NWRITE|[integer]}} | ||
{{DEF|PHON_NWRITE| | {{DEF|PHON_NWRITE|1|}} | ||
Description: {{TAG|PHON_NWRITE}} | Description: {{TAG|PHON_NWRITE}} | ||
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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. | ||
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{{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