ELPH WRITE HDF5VEL - Revision history

Miranda.henrique at 12:05, 17 September 2025

2025-09-17T12:05:39Z

← Older revision		Revision as of 12:05, 17 September 2025
Line 10:		Line 10:
	The group velocities are written in ev Å units in cartesian coordinates.		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 ~~differente~~ from {{TAG\|NBANDS}}.		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.

Miranda.henrique at 12:05, 17 September 2025

2025-09-17T12:05:25Z

← Older revision		Revision as of 12:05, 17 September 2025
Line 10:		Line 10:
	The group velocities are written in ev Å units in cartesian coordinates.		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 differente from {{TAG\|NBANDS}}.
	If both are set, both outputs are written.		If both are set, both outputs are written.

Miranda.henrique at 12:04, 17 September 2025

2025-09-17T12:04:12Z

← Older revision		Revision as of 12:04, 17 September 2025
Line 8:		Line 8:
	$ 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/A units in cartesian coordinates.		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}}.
	If both are set, both outputs are written.		If both are set, both outputs are written.

Miranda.henrique: 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 {{..."

2025-09-17T12:00:48Z

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 {{..."

New page

{{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 {{TAG|ELPH_WRITE_TEXTVEL}}.
If both are set, both outputs are written.

==Related tags and articles==
* {{TAG|ELPH_RUN}}
* {{TAG|ELPH_WRITE_TEXTVEL}}

[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]