IBAND - Revision history

Wolloch at 11:28, 18 December 2024

2024-12-18T11:28:33Z

← Older revision		Revision as of 11:28, 18 December 2024
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	{{TAG\|LSEPB}},		{{TAG\|LSEPB}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	~~<!--~~{{TAG\|LPARDH5}},~~-->~~		{{TAG\|LPARDH5}},
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	{{FILE\|vaspout.h5}},		{{FILE\|vaspout.h5}},

Wolloch at 10:18, 14 June 2024

2024-06-14T10:18:35Z

← Older revision		Revision as of 10:18, 14 June 2024
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	----		----
	{{TAG\|IBAND}} selects a subset of bands for which the partial charge density is calculated when {{TAG\|LPARD}} = .TRUE..		{{TAG\|IBAND}} selects a subset of bands for which the partial charge density is calculated when {{TAG\|LPARD}} = .TRUE..
	Partial charge densities are written to the {{FILE\|PARCHG}} file, or one of its variants, depending on the setting of {{TAG\|LSEPB}} and {{TAG\|LSEPK}}. If {{TAG\|LPARDH5}} = .TRUE. the output will be redirected to the {{FILE\|vaspout.h5}} [[Makefile.include#HDF5_support_(strongly_recommended)\|hdf5]] file.		Partial charge densities are written to the {{FILE\|PARCHG}} file, or one of its variants, depending on the setting of {{TAG\|LSEPB}} and {{TAG\|LSEPK}}.
			<!--If {{TAG\|LPARDH5}} = .TRUE. the output will be redirected to the {{FILE\|vaspout.h5}} [[Makefile.include#HDF5_support_(strongly_recommended)\|hdf5]] file.-->
	{{NB\|mind\|Setting {{TAG\|IBAND}} will automatically set {{TAG\|NBMOD}} {{=}} N, where N is the number of bands passed to {{TAG\|IBAND}}, regardless of the {{TAG\|NBMOD}} setting in the {{FILE\|INCAR}} file.}}		{{NB\|mind\|Setting {{TAG\|IBAND}} will automatically set {{TAG\|NBMOD}} {{=}} N, where N is the number of bands passed to {{TAG\|IBAND}}, regardless of the {{TAG\|NBMOD}} setting in the {{FILE\|INCAR}} file.}}
	E.g. if		E.g. if
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	{{TAG\|LSEPB}},		{{TAG\|LSEPB}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	{{TAG\|LPARDH5}},		<!--{{TAG\|LPARDH5}},-->
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	{{FILE\|vaspout.h5}},		{{FILE\|vaspout.h5}},

Wolloch at 09:50, 13 June 2024

2024-06-13T09:50:44Z

← Older revision		Revision as of 09:50, 13 June 2024
Line 4:		Line 4:
	----		----
	{{TAG\|IBAND}} selects a subset of bands for which the partial charge density is calculated when {{TAG\|LPARD}} = .TRUE..		{{TAG\|IBAND}} selects a subset of bands for which the partial charge density is calculated when {{TAG\|LPARD}} = .TRUE..
	Partial charge densities are written to the {{FILE\|PARCHG}} file, or one of its variants, depending on the setting of {{TAG\|LSEPB}} and {{TAG\|LSEPK}}.		Partial charge densities are written to the {{FILE\|PARCHG}} file, or one of its variants, depending on the setting of {{TAG\|LSEPB}} and {{TAG\|LSEPK}}. If {{TAG\|LPARDH5}} = .TRUE. the output will be redirected to the {{FILE\|vaspout.h5}} [[Makefile.include#HDF5_support_(strongly_recommended)\|hdf5]] file.
	{{NB\|mind\|Setting {{TAG\|IBAND}} will automatically set {{TAG\|NBMOD}} {{=}} N, where N is the number of bands passed to {{TAG\|IBAND}}, regardless of the {{TAG\|NBMOD}} setting in the {{FILE\|INCAR}} file.}}		{{NB\|mind\|Setting {{TAG\|IBAND}} will automatically set {{TAG\|NBMOD}} {{=}} N, where N is the number of bands passed to {{TAG\|IBAND}}, regardless of the {{TAG\|NBMOD}} setting in the {{FILE\|INCAR}} file.}}
	E.g. if		E.g. if
Line 17:		Line 17:
	{{TAG\|LSEPB}},		{{TAG\|LSEPB}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
			{{TAG\|LPARDH5}},
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
			{{FILE\|vaspout.h5}},
	[[Band-decomposed charge densities]]		[[Band-decomposed charge densities]]

	{{sc\|IBAND\|Examples\|Examples that use this tag}}		{{sc\|IBAND\|Examples\|Examples that use this tag}}
	----		----
			[[Category:INCAR tag]][[Category:Charge density]]
	~~<!--~~[[Category:INCAR tag]][[Category:Charge density]]

Huebsch: Huebsch moved page Construction:IBAND to IBAND without leaving a redirect

2024-02-26T07:48:14Z

Huebsch moved page Construction:IBAND to IBAND without leaving a redirect

← Older revision	Revision as of 07:48, 26 February 2024
(No difference)

Wolloch at 07:38, 26 February 2024

2024-02-26T07:38:48Z

← Older revision		Revision as of 07:38, 26 February 2024
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	{{TAGDEF\|IBAND\|[integer array]\|not set}}		{{TAGDEF\|IBAND\|[integer array]\|not set}}

	Description: {{TAG\|IBAND}} sets a list of bands that contribute to calculating the partial charge density.		Description: {{TAG\|IBAND}} sets a list of bands that contribute to calculating the [[Band-decomposed charge densities\|partial charge density]].
	----		----
	{{TAG\|IBAND}} selects a subset of bands for which the partial charge density is calculated when {{TAG\|LPARD}} = .TRUE..		{{TAG\|IBAND}} selects a subset of bands for which the partial charge density is calculated when {{TAG\|LPARD}} = .TRUE..
Line 18:		Line 18:
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	~~{{TAG\|~~Band decomposed charge densities}}		[[Band-decomposed charge densities]]

	{{sc\|IBAND\|Examples\|Examples that use this tag}}		{{sc\|IBAND\|Examples\|Examples that use this tag}}

Wolloch at 16:31, 9 February 2024

2024-02-09T16:31:47Z

← Older revision		Revision as of 16:31, 9 February 2024
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	{{NB\|mind\|Setting {{TAG\|IBAND}} will automatically set {{TAG\|NBMOD}} {{=}} N, where N is the number of bands passed to {{TAG\|IBAND}}, regardless of the {{TAG\|NBMOD}} setting in the {{FILE\|INCAR}} file.}}		{{NB\|mind\|Setting {{TAG\|IBAND}} will automatically set {{TAG\|NBMOD}} {{=}} N, where N is the number of bands passed to {{TAG\|IBAND}}, regardless of the {{TAG\|NBMOD}} setting in the {{FILE\|INCAR}} file.}}
	E.g. if		E.g. if
	IBAND = 20 21 22 23 45		<code>IBAND = 20 21 22 23 45</code>
	the charge density will be calculated for the four bands 20 to 23 and band 45, and {{TAG\|NBMOD}} will be set to 5.		the charge density will be calculated for the four bands 20 to 23 and band 45, and {{TAG\|NBMOD}} will be set to 5.

Wolloch at 16:29, 9 February 2024

2024-02-09T16:29:08Z

← Older revision		Revision as of 16:29, 9 February 2024
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	----		----

	<!--[[Category:INCAR tag~~]][[Category:Electronic minimization~~]][[Category:Charge density]]		<!--[[Category:INCAR tag]][[Category:Charge density]]

Wolloch: /* Related tags and articles */

2024-02-02T14:03:07Z

Wolloch: Created page with "{{TAGDEF|IBAND|[integer array]|not set}} Description: {{TAG|IBAND}} sets a list of bands that contribute to calculating the partial charge density. ---- {{TAG|IBAND}} selects a subset of bands for which the partial charge density is calculated when {{TAG|LPARD}} = .TRUE.. Partial charge densities are written to the {{FILE|PARCHG}} file, or one of its variants, depending on the setting of {{TAG|LSEPB}} and {{TAG|LSEPK}}. {{NB|mind|Setting {{TAG|IBAND}} will automatically..."

2024-02-01T14:43:43Z

Created page with "{{TAGDEF|IBAND|[integer array]|not set}} Description: {{TAG|IBAND}} sets a list of bands that contribute to calculating the partial charge density. ---- {{TAG|IBAND}} selects a subset of bands for which the partial charge density is calculated when {{TAG|LPARD}} = .TRUE.. Partial charge densities are written to the {{FILE|PARCHG}} file, or one of its variants, depending on the setting of {{TAG|LSEPB}} and {{TAG|LSEPK}}. {{NB|mind|Setting {{TAG|IBAND}} will automatically..."

New page

{{TAGDEF|IBAND|[integer array]|not set}}

Description: {{TAG|IBAND}} sets a list of bands that contribute to calculating the partial charge density.
----
{{TAG|IBAND}} selects a subset of bands for which the partial charge density is calculated when {{TAG|LPARD}} = .TRUE..
Partial charge densities are written to the {{FILE|PARCHG}} file, or one of its variants, depending on the setting of {{TAG|LSEPB}} and {{TAG|LSEPK}}.
{{NB|mind|Setting {{TAG|IBAND}} will automatically set {{TAG|NBMOD}} {{=}} N, where N is the number of bands passed to {{TAG|IBAND}}, regardless of the {{TAG|NBMOD}} setting in the {{FILE|INCAR}} file.}}
E.g. if
IBAND = 20 21 22 23 45
the charge density will be calculated for the four bands 20 to 23 and band 45, and {{TAG|NBMOD}} will be set to 5.

== Related tags and articles ==
{{TAG|LPARD}},
{{TAG|NBMOD}},
{{TAG|EINT}},
{{TAG|KPUSE}},
{{TAG|LSEPB}},
{{TAG|LSEPK}},
{{FILE|PARCHG}},
{{TAG|Band decomposed charge densities}}

{{sc|IBAND|Examples|Examples that use this tag}}
----

[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Charge density]]

← Older revision		Revision as of 14:03, 2 February 2024
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	----		----

	[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Charge density]]		<!--[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Charge density]]