PHON_NWRITE
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