LSEPB - Revision history

Singraber at 07:48, 24 October 2025

2025-10-24T07:48:53Z

← Older revision		Revision as of 07:48, 24 October 2025
Line 5:		Line 5:
	If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.		If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.

	Here are four examples to illustrate the interplay of {{TAG\|LSEPB}} and {{TAG\|LSEPK}}. in all cases, the following settings apply, selecting three specific bands and two '''k''' points {{~~TAGO~~\|IBAND\| 9 10 11}}, {{~~TAGO~~\|NBMOD\|3}}, and {{~~TAGO~~\|KPUSE\| 1 34}}:		Here are four examples to illustrate the interplay of {{TAG\|LSEPB}} and {{TAG\|LSEPK}}. in all cases, the following settings apply, selecting three specific bands and two '''k''' points {{TAG\|IBAND\| 9 10 11}}, {{TAG\|NBMOD\|3}}, and {{TAG\|KPUSE\| 1 34}}:

	*{{~~TAGO~~\|LSEPB\|.FALSE.}}, {{~~TAGO~~\|LSEPK\|.FALSE.}}		*{{TAG\|LSEPB\|.FALSE.}}, {{TAG\|LSEPK\|.FALSE.}}
	{{NB\|deprecated\|PARCHG\|:\|output files:}}		{{NB\|deprecated\|PARCHG\|:\|output files:}}
	*{{~~TAGO~~\|LSEPB\|.TRUE.}}, {{~~TAGO~~\|LSEPK\|.FALSE.}}		*{{TAG\|LSEPB\|.TRUE.}}, {{TAG\|LSEPK\|.FALSE.}}
	{{NB\|deprecated\|PARCHG.0009.ALLK, PARCHG.0010.ALLK, PARCHG.0011.ALLK\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.ALLK, PARCHG.0010.ALLK, PARCHG.0011.ALLK\|:\|output files:}}
	*{{~~TAGO~~\|LSEPB\|.FALSE.}}, {{~~TAGO~~\|LSEPK\|.TRUE.}}		*{{TAG\|LSEPB\|.FALSE.}}, {{TAG\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.ALLB.0001, PARCHG.ALLB.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.ALLB.0001, PARCHG.ALLB.0034\|:\|output files:}}
	*{{~~TAGO~~\|LSEPB\|.TRUE.}}, {{~~TAGO~~\|LSEPK\|.TRUE.}}		*{{TAG\|LSEPB\|.TRUE.}}, {{TAG\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}
	{{NB\|mind\|If VASP 6.5.0 or later is used, the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]], and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}		{{NB\|mind\|If VASP 6.5.0 or later is used, the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]], and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}

Wolloch at 13:51, 18 December 2024

2024-12-18T13:51:21Z

← Older revision		Revision as of 13:51, 18 December 2024
Line 15:		Line 15:
	*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}		*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}
	~~<!--~~{{NB\|mind\|If the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]] and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}~~-->~~		{{NB\|mind\|If VASP 6.5.0 or later is used, the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]], and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LPARD}},		{{TAG\|LPARD}},

Wolloch: /* Related tags and articles */

2024-12-18T13:49:21Z

Wolloch at 11:52, 14 June 2024

2024-06-14T11:52:46Z

← Older revision		Revision as of 11:52, 14 June 2024
Line 15:		Line 15:
	*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}		*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}
	{{NB\|mind\|If the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]] and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}		<!--{{NB\|mind\|If the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]] and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}-->
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LPARD}},		{{TAG\|LPARD}},
Line 23:		Line 23:
	{{TAG\|KPUSE}},		{{TAG\|KPUSE}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	{{TAG\|LPARDH5}},		<!--{{TAG\|LPARDH5}},-->
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	{{FILE\|vaspout.h5}},		{{FILE\|vaspout.h5}},

Wolloch at 10:03, 13 June 2024

2024-06-13T10:03:03Z

← Older revision		Revision as of 10:03, 13 June 2024
Line 2:		Line 2:

	Description: Specifies whether the [[Band-decomposed charge densities\|partial charge density]] is summed up for all selected bands or separated and printed out in different files.		Description: Specifies whether the [[Band-decomposed charge densities\|partial charge density]] is summed up for all selected bands or separated and printed out in different files.
	{{NB\|mind\|If the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]] and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}
	----		----
	If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.		If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.
Line 16:		Line 15:
	*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}		*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}
			{{NB\|mind\|If the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]] and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LPARD}},		{{TAG\|LPARD}},

Wolloch at 10:01, 13 June 2024

2024-06-13T10:01:24Z

← Older revision		Revision as of 10:01, 13 June 2024
Line 2:		Line 2:

	Description: Specifies whether the [[Band-decomposed charge densities\|partial charge density]] is summed up for all selected bands or separated and printed out in different files.		Description: Specifies whether the [[Band-decomposed charge densities\|partial charge density]] is summed up for all selected bands or separated and printed out in different files.
			{{NB\|mind\|If the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]] and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}
	----		----
	If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.		If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.
Line 15:		Line 16:
	*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}		*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}

	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LPARD}},		{{TAG\|LPARD}},
Line 23:		Line 23:
	{{TAG\|KPUSE}},		{{TAG\|KPUSE}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
			{{TAG\|LPARDH5}},
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
			{{FILE\|vaspout.h5}},
	[[Band-decomposed charge densities]]		[[Band-decomposed charge densities]]

Wolloch at 14:53, 22 February 2024

2024-02-22T14:53:47Z

← Older revision		Revision as of 14:53, 22 February 2024
Line 1:		Line 1:
	{{TAGDEF\|LSEPB\|[logical]\|.FALSE.}}		{{TAGDEF\|LSEPB\|[logical]\|.FALSE.}}

	Description: Specifies whether the partial charge density is summed up for all selected bands or separated and printed out in different files.		Description: Specifies whether the [[Band-decomposed charge densities\|partial charge density]] is summed up for all selected bands or separated and printed out in different files.
	----		----
	If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.		If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.
Line 24:		Line 24:
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	~~{{TAG\|~~Band decomposed charge densities}}		[[Band-decomposed charge densities]]

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

Wolloch at 16:40, 9 February 2024

2024-02-09T16:40:39Z

← Older revision		Revision as of 16:40, 9 February 2024
Line 13:		Line 13:
	*{{TAGO\|LSEPB\|.FALSE.}}, {{TAGO\|LSEPK\|.TRUE.}}		*{{TAGO\|LSEPB\|.FALSE.}}, {{TAGO\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.ALLB.0001, PARCHG.ALLB.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.ALLB.0001, PARCHG.ALLB.0034\|:\|output files:}}
	~~:creates: PARCHG.ALLB.0001, PARCHG.ALLB.0034~~
	*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}		*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}

Wolloch: /* Related tags and articles */

2024-02-09T16:39:26Z

Huebsch at 11:59, 9 February 2024

2024-02-09T11:59:04Z

← Older revision		Revision as of 11:59, 9 February 2024
Line 1:		Line 1:
	{{TAGDEF\|LSEPB\|[logical]\|.FALSE.}}		{{TAGDEF\|LSEPB\|[logical]\|.FALSE.}}

	Description: Specifies whether the charge density is calculated for ~~every band separately~~ and ~~written~~ to ~~a file~~ PARCHG.nb.* ({{TAG\|LSEPB}}=''.~~TRUE~~.~~'')~~ or ~~whether charge density is merged for~~ all ~~selected~~ bands and ~~written to the~~ files PARCHG.ALLB.* or {{~~TAG~~\|PARCHG}}.		Description: Specifies whether the partial charge density is summed up for all selected bands or separated and printed out in different files.
			----
			If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.

			Here are four examples to illustrate the interplay of {{TAG\|LSEPB}} and {{TAG\|LSEPK}}. in all cases, the following settings apply, selecting three specific bands and two '''k''' points {{TAGO\|IBAND\| 9 10 11}}, {{TAGO\|NBMOD\|3}}, and {{TAGO\|KPUSE\| 1 34}}:

			*{{TAGO\|LSEPB\|.FALSE.}}, {{TAGO\|LSEPK\|.FALSE.}}
			{{NB\|deprecated\|PARCHG\|:\|output files:}}
			*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.FALSE.}}
			{{NB\|deprecated\|PARCHG.0009.ALLK, PARCHG.0010.ALLK, PARCHG.0011.ALLK\|:\|output files:}}
			*{{TAGO\|LSEPB\|.FALSE.}}, {{TAGO\|LSEPK\|.TRUE.}}
			{{NB\|deprecated\|PARCHG.ALLB.0001, PARCHG.ALLB.0034\|:\|output files:}}
			:creates: PARCHG.ALLB.0001, PARCHG.ALLB.0034
			*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}
			{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}

	== Related tags and articles ==		== Related tags and articles ==
Line 10:		Line 24:
	{{TAG\|KPUSE}},		{{TAG\|KPUSE}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
			{{FILE\|PARCHG}},
	{{TAG\|Band decomposed charge densities}}		{{TAG\|Band decomposed charge densities}}

← Older revision		Revision as of 07:48, 24 October 2025
Line 5:		Line 5:
	If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.		If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.

	Here are four examples to illustrate the interplay of {{TAG\|LSEPB}} and {{TAG\|LSEPK}}. in all cases, the following settings apply, selecting three specific bands and two '''k''' points {{~~TAGO~~\|IBAND\| 9 10 11}}, {{~~TAGO~~\|NBMOD\|3}}, and {{~~TAGO~~\|KPUSE\| 1 34}}:		Here are four examples to illustrate the interplay of {{TAG\|LSEPB}} and {{TAG\|LSEPK}}. in all cases, the following settings apply, selecting three specific bands and two '''k''' points {{TAG\|IBAND\| 9 10 11}}, {{TAG\|NBMOD\|3}}, and {{TAG\|KPUSE\| 1 34}}:

	*{{~~TAGO~~\|LSEPB\|.FALSE.}}, {{~~TAGO~~\|LSEPK\|.FALSE.}}		*{{TAG\|LSEPB\|.FALSE.}}, {{TAG\|LSEPK\|.FALSE.}}
	{{NB\|deprecated\|PARCHG\|:\|output files:}}		{{NB\|deprecated\|PARCHG\|:\|output files:}}
	*{{~~TAGO~~\|LSEPB\|.TRUE.}}, {{~~TAGO~~\|LSEPK\|.FALSE.}}		*{{TAG\|LSEPB\|.TRUE.}}, {{TAG\|LSEPK\|.FALSE.}}
	{{NB\|deprecated\|PARCHG.0009.ALLK, PARCHG.0010.ALLK, PARCHG.0011.ALLK\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.ALLK, PARCHG.0010.ALLK, PARCHG.0011.ALLK\|:\|output files:}}
	*{{~~TAGO~~\|LSEPB\|.FALSE.}}, {{~~TAGO~~\|LSEPK\|.TRUE.}}		*{{TAG\|LSEPB\|.FALSE.}}, {{TAG\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.ALLB.0001, PARCHG.ALLB.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.ALLB.0001, PARCHG.ALLB.0034\|:\|output files:}}
	*{{~~TAGO~~\|LSEPB\|.TRUE.}}, {{~~TAGO~~\|LSEPK\|.TRUE.}}		*{{TAG\|LSEPB\|.TRUE.}}, {{TAG\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}
	{{NB\|mind\|If VASP 6.5.0 or later is used, the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]], and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}		{{NB\|mind\|If VASP 6.5.0 or later is used, the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]], and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}

← Older revision		Revision as of 13:51, 18 December 2024
Line 15:		Line 15:
	*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}		*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}
	~~<!--~~{{NB\|mind\|If the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]] and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}~~-->~~		{{NB\|mind\|If VASP 6.5.0 or later is used, the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]], and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LPARD}},		{{TAG\|LPARD}},

← Older revision		Revision as of 13:49, 18 December 2024
Line 23:		Line 23:
	{{TAG\|KPUSE}},		{{TAG\|KPUSE}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	~~<!--~~{{TAG\|LPARDH5}},~~-->~~		{{TAG\|LPARDH5}},
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	{{FILE\|vaspout.h5}},		{{FILE\|vaspout.h5}},

← Older revision		Revision as of 11:52, 14 June 2024
Line 15:		Line 15:
	*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}		*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}
	{{NB\|mind\|If the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]] and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}		<!--{{NB\|mind\|If the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]] and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}-->
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LPARD}},		{{TAG\|LPARD}},
Line 23:		Line 23:
	{{TAG\|KPUSE}},		{{TAG\|KPUSE}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	{{TAG\|LPARDH5}},		<!--{{TAG\|LPARDH5}},-->
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	{{FILE\|vaspout.h5}},		{{FILE\|vaspout.h5}},

← Older revision		Revision as of 10:03, 13 June 2024
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	Description: Specifies whether the [[Band-decomposed charge densities\|partial charge density]] is summed up for all selected bands or separated and printed out in different files.		Description: Specifies whether the [[Band-decomposed charge densities\|partial charge density]] is summed up for all selected bands or separated and printed out in different files.
	{{NB\|mind\|If the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]] and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}
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	If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.		If {{TAG\|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG\|IBAND}}, {{TAG\|NBMOD}}, and {{TAG\|EINT}} tags. If {{TAG\|LSEPB}} is set to .TRUE., separate PARCHG.nb.ALLK or PARCHG.nb.nk files are created, dependent on the {{TAG\|LSEPK}} tag. If {{TAG\|LSEPB}} = .FALSE., the output is written to {{FILE\|PARCHG}} or PARCHG.ALLB.nk, again depending on {{TAG\|LSEPK}}.
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	*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}		*{{TAGO\|LSEPB\|.TRUE.}}, {{TAGO\|LSEPK\|.TRUE.}}
	{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}		{{NB\|deprecated\|PARCHG.0009.0001, PARCHG.0009.0034, PARCHG.0010.0001, PARCHG.0010.0034, PARCHG.0011.0001, PARCHG.0011.0034\|:\|output files:}}
			{{NB\|mind\|If the code is compiled with [[Makefile.include#HDF5_support_(strongly_recommended)\|HDF5 support]] and {{TAG\|LPARDH5}} {{=}} .TRUE., all output will be redirected to the {{FILE\|vaspout.h5}} file, where it can be analyzed with {{py4vasp}}.}}
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LPARD}},		{{TAG\|LPARD}},

← Older revision		Revision as of 16:39, 9 February 2024
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	[[Category:INCAR tag~~]][[Category:Electronic minimization~~]][[Category:Charge density]]		[[Category:INCAR tag]][[Category:Charge density]]