ELPH WRITE HDF5VEL: Difference between revisions
(Created page with "{{DISPLAYTITLE:ELPH_WRITE_HDF5VEL}} {{TAGDEF|ELPH_WRITE_HDF5VEL|[logical]|.FALSE.}} Description: If set, writes the electron group velocities to the {{FILE|vaspout.h5}} file. {{Available|6.5.0}} ---- The dataset is stored in the {{FILE|vaspout.h5}} file $ h5ls -r vaspout.h5 | grep velocity /results/electron_phonon/electrons/velocity Dataset {3, 1, 20, 8} The group velocities are written in ev/A units in cartesian coordinates. This tag can be used independently of {{...") |
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$ h5ls -r vaspout.h5 | grep velocity | $ h5ls -r vaspout.h5 | grep velocity | ||
/results/electron_phonon/electrons/velocity Dataset {3, 1, 20, 8} | /results/electron_phonon/electrons/velocity Dataset {3, 1, 20, 8} | ||
The group velocities are written in ev | The group velocities are written in ev Å units in cartesian coordinates. | ||
This tag can be used independently of {{TAG|ELPH_WRITE_TEXTVEL}}. | This tag can be used independently of {{TAG|ELPH_WRITE_TEXTVEL}}. | ||
The number of bands is the one set by {{TAG|ELPH_NBANDS}} which can in some cases be different from {{TAG|NBANDS}}. | |||
If both are set, both outputs are written. | If both are set, both outputs are written. | ||
Latest revision as of 12:05, 17 September 2025
ELPH_WRITE_HDF5VEL = [logical]
Default: ELPH_WRITE_HDF5VEL = .FALSE.
Description: If set, writes the electron group velocities to the vaspout.h5 file.
| Mind: Available as of VASP 6.5.0 |
The dataset is stored in the vaspout.h5 file
$ h5ls -r vaspout.h5 | grep velocity
/results/electron_phonon/electrons/velocity Dataset {3, 1, 20, 8}
The group velocities are written in ev Å units in cartesian coordinates. This tag can be used independently of ELPH_WRITE_TEXTVEL. The number of bands is the one set by ELPH_NBANDS which can in some cases be different from NBANDS. If both are set, both outputs are written.