LIBMBD K GRID - Revision history

Ftran at 13:59, 19 March 2024

2024-03-19T13:59:32Z

← Older revision		Revision as of 13:59, 19 March 2024
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	----		----
	{{TAG\|LIBMBD_K_GRID}} allows to choose the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods. The three integers correspond to the number of k-points along the axes of the cell in the reciprocal space. The values are internally passed to the libMBD input '''k_grid''' described at the page {{cite\|libmbd_input}}.		{{TAG\|LIBMBD_K_GRID}} allows to choose the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods. The three integers correspond to the number of k-points along the axes of the cell in the reciprocal space. The values are internally passed to the libMBD input '''k_grid''' described at the page {{cite\|libmbd_input}}.
	{{NB\|important\| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLIBMBD\|-DLIBMBD]].}}		{{NB\|important\| This feature is available from VASP.6.4.3 onwards that needs to be compiled with [[Precompiler_options#-DLIBMBD\|-DLIBMBD]].}}
	libMBD is a separate library package that has to be downloaded{{cite\|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLIBMBD\|precompiler options]] and [[Makefile.include#LIBMBD_.28optional.29\|links to the libraries]].		libMBD is a separate library package that has to be downloaded{{cite\|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLIBMBD\|precompiler options]] and [[Makefile.include#LIBMBD_.28optional.29\|links to the libraries]].

Huebsch: Huebsch moved page Construction:LIBMBD K GRID to LIBMBD K GRID without leaving a redirect

2024-03-19T11:32:46Z

Huebsch moved page Construction:LIBMBD K GRID to LIBMBD K GRID without leaving a redirect

← Older revision	Revision as of 11:32, 19 March 2024
(No difference)

Huebsch at 11:32, 19 March 2024

2024-03-19T11:32:36Z

← Older revision		Revision as of 11:32, 19 March 2024
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	----		----
	~~<!--~~[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]~~-->~~		[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]

Ftran at 16:51, 7 February 2024

2024-02-07T16:51:45Z

← Older revision		Revision as of 16:51, 7 February 2024
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	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}}		{{TAG\|LIBMBD_METHOD}},
			{{TAG\|LIBMBD_K_GRID_SHIFT}}

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

Ftran at 15:30, 7 February 2024

2024-02-07T15:30:40Z

← Older revision		Revision as of 15:30, 7 February 2024
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	{{NB\|important\| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLIBMBD\|-DLIBMBD]].}}		{{NB\|important\| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLIBMBD\|-DLIBMBD]].}}
	libMBD is a separate library package that has to be downloaded{{cite\|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLIBMBD\|precompiler options]] and [[Makefile.include#LIBMBD_.28optional.29\|links to the libraries]].		libMBD is a separate library package that has to be downloaded{{cite\|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLIBMBD\|precompiler options]] and [[Makefile.include#LIBMBD_.28optional.29\|links to the libraries]].

			== Related tags and articles ==
			{{TAG\|LIBMBD_METHOD}}

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

Ftran at 13:37, 7 February 2024

2024-02-07T13:37:47Z

← Older revision		Revision as of 13:37, 7 February 2024
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	Description: {{TAG\|LIBMBD_K_GRID}} sets the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.		Description: {{TAG\|LIBMBD_K_GRID}} sets the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.
	----		----
	{{TAG\|LIBMBD_K_GRID}} allows to choose the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods. The three integers correspond to the number of k-points along the axes in the reciprocal space. The values are internally passed to the libMBD input '''k_grid''' described at the page {{cite\|libmbd_input}}.		{{TAG\|LIBMBD_K_GRID}} allows to choose the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods. The three integers correspond to the number of k-points along the axes of the cell in the reciprocal space. The values are internally passed to the libMBD input '''k_grid''' described at the page {{cite\|libmbd_input}}.
	{{NB\|important\| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLIBMBD\|-DLIBMBD]].}}		{{NB\|important\| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLIBMBD\|-DLIBMBD]].}}
	libMBD is a separate library package that has to be downloaded{{cite\|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLIBMBD\|precompiler options]] and [[Makefile.include#LIBMBD_.28optional.29\|links to the libraries]].		libMBD is a separate library package that has to be downloaded{{cite\|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLIBMBD\|precompiler options]] and [[Makefile.include#LIBMBD_.28optional.29\|links to the libraries]].

Ftran at 13:34, 7 February 2024

2024-02-07T13:34:19Z

← Older revision		Revision as of 13:34, 7 February 2024
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	{{DISPLAYTITLE:LIBMBD_K_GRID}}		{{DISPLAYTITLE:LIBMBD_K_GRID}}
	{{TAGDEF\|LIBMBD_K_GRID\|[~~integer~~ array]\|determined in libMBD according to the cell shape}}		{{TAGDEF\|LIBMBD_K_GRID\|[array of three integers]\|determined in libMBD according to the cell shape}}

	Description: {{TAG\|LIBMBD_K_GRID}} ~~is the shift for~~ the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.		Description: {{TAG\|LIBMBD_K_GRID}} sets the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.
	----		----
	{{TAG\|LIBMBD_K_GRID}} allows to choose ~~a shift for~~ the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods. The ~~value is~~ internally passed to the libMBD input '''~~k_grid_shift~~''' described at the page {{cite\|libmbd_input}}.		{{TAG\|LIBMBD_K_GRID}} allows to choose the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods. The three integers correspond to the number of k-points along the axes in the reciprocal space. The values are internally passed to the libMBD input '''k_grid''' described at the page {{cite\|libmbd_input}}.
	{{NB\|important\| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLIBMBD\|-DLIBMBD]].}}		{{NB\|important\| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLIBMBD\|-DLIBMBD]].}}
	libMBD is a separate library package that has to be downloaded{{cite\|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLIBMBD\|precompiler options]] and [[Makefile.include#LIBMBD_.28optional.29\|links to the libraries]].		libMBD is a separate library package that has to be downloaded{{cite\|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLIBMBD\|precompiler options]] and [[Makefile.include#LIBMBD_.28optional.29\|links to the libraries]].

Ftran at 13:27, 7 February 2024

2024-02-07T13:27:30Z

← Older revision		Revision as of 13:27, 7 February 2024
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	{{DISPLAYTITLE:LIBMBD_K_GRID}}		{{DISPLAYTITLE:LIBMBD_K_GRID}}
	{{TAGDEF\|LIBMBD_K_GRID\|[integer array]\|determined in libMBD according to the cell shape)}}		{{TAGDEF\|LIBMBD_K_GRID\|[integer array]\|determined in libMBD according to the cell shape}}

	Description: {{TAG\|LIBMBD_K_GRID}} is the shift for the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.		Description: {{TAG\|LIBMBD_K_GRID}} is the shift for the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.

Ftran at 13:27, 7 February 2024

2024-02-07T13:27:18Z

← Older revision		Revision as of 13:27, 7 February 2024
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	{{DISPLAYTITLE:LIBMBD_K_GRID}}		{{DISPLAYTITLE:LIBMBD_K_GRID}}
	{{TAGDEF\|LIBMBD_K_GRID\|[~~real~~]\|~~0.5 (default~~ in libMBD)}}		{{TAGDEF\|LIBMBD_K_GRID\|[integer array]\|determined in libMBD according to the cell shape)}}

	Description: {{TAG\|LIBMBD_K_GRID}} is the shift for the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.		Description: {{TAG\|LIBMBD_K_GRID}} is the shift for the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.

Ftran: Created page with "{{DISPLAYTITLE:LIBMBD_K_GRID}} {{TAGDEF|LIBMBD_K_GRID|[real]|0.5 (default in libMBD)}} Description: {{TAG|LIBMBD_K_GRID}} is the shift for the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_K_GRID}} allows to choose a shift for the k-mesh of the collective oscillations defined in the methods available in the library..."

2024-02-07T13:25:49Z

Created page with "{{DISPLAYTITLE:LIBMBD_K_GRID}} {{TAGDEF|LIBMBD_K_GRID|[real]|0.5 (default in libMBD)}} Description: {{TAG|LIBMBD_K_GRID}} is the shift for the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_K_GRID}} allows to choose a shift for the k-mesh of the collective oscillations defined in the methods available in the library..."

New page

{{DISPLAYTITLE:LIBMBD_K_GRID}}
{{TAGDEF|LIBMBD_K_GRID|[real]|0.5 (default in libMBD)}}

Description: {{TAG|LIBMBD_K_GRID}} is the shift for the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}.
----
{{TAG|LIBMBD_K_GRID}} allows to choose a shift for the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''k_grid_shift''' described at the page {{cite|libmbd_input}}.
{{NB|important| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLIBMBD|-DLIBMBD]].}}
libMBD is a separate library package that has to be downloaded{{cite|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLIBMBD|precompiler options]] and [[Makefile.include#LIBMBD_.28optional.29|links to the libraries]].

{{sc|LIBMBD_K_GRID|Examples|Examples that use this tag}}

== References ==
<references/>

----