ELPH WRITE TEXTVEL: Difference between revisions
(Created page with "{{DISPLAYTITLE:ELPH_WRITE_TEXTVEL}} {{TAGDEF|ELPH_WRITE_TEXTVEL|[logical]|.FALSE.}} Description: If set, writes the electron group velocities to a {{FILE|velocity}} human-readable text file. {{Available|6.5.0}} ---- The {{FILE|velocity}} file contains the following information: # band kpoint spin direction energy(eV) velocity 1 1 1 1 e1 vel1 2 1 1 1 e2 vel2 ... 8 1 1 1 e8 vel8 ... The group velocities are written in ev/A units in cartesian coordinates. This...") |
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8 1 1 1 e8 vel8 | 8 1 1 1 e8 vel8 | ||
... | ... | ||
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_HDF5VEL}}. | This tag can be used independently of {{TAG|ELPH_WRITE_HDF5VEL}}. | ||
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. | ||
==Related tags and articles== | ==Related tags and articles== | ||
Latest revision as of 12:05, 17 September 2025
ELPH_WRITE_TEXTVEL = [logical]
Default: ELPH_WRITE_TEXTVEL = .FALSE.
Description: If set, writes the electron group velocities to a velocity human-readable text file.
| Mind: Available as of VASP 6.5.0 |
The velocity file contains the following information:
# band kpoint spin direction energy(eV) velocity 1 1 1 1 e1 vel1 2 1 1 1 e2 vel2 ... 8 1 1 1 e8 vel8 ...
The group velocities are written in ev Å units in cartesian coordinates. This tag can be used independently of ELPH_WRITE_HDF5VEL. 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.