PHON NWRITE

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PHON_NWRITE = .TRUE. | .FALSE. 

Default: PHON_NWRITE = .FALSE.

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, PHON_NWRITE, LPHON_POLAR, PHON_DIELECTRIC, PHON_BORN_CHARGES, PHON_G_CUTOFF, PHON_DOS, PHON_SIGMA, PHON_NEDOS


Examples that use this tag