LIBMBD MBD BETA - Revision history

Ftran at 13:58, 19 March 2024

2024-03-19T13:58:43Z

← Older revision		Revision as of 13:58, 19 March 2024
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	{{TAG\|LIBMBD_MBD_BETA}} allows to choose the value of the damping parameter <math>\beta</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''mbd_beta''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_MBD_BETA}} is the same as the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the many-body methods.		{{TAG\|LIBMBD_MBD_BETA}} allows to choose the value of the damping parameter <math>\beta</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''mbd_beta''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_MBD_BETA}} is the same as the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the many-body methods.
	{{NB\|mind\| {{TAG\|LIBMBD_MBD_BETA}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_MBD_BETA}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}
	{{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 at 11:18, 19 March 2024

2024-03-19T11:18:37Z

← Older revision		Revision as of 11:18, 19 March 2024
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	Description: {{TAG\|LIBMBD_MBD_BETA}} sets the value of the scaling factor <math>\beta</math> (usually denoted <math>s_R</math>) in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.		Description: {{TAG\|LIBMBD_MBD_BETA}} sets the value of the scaling factor <math>\beta</math> (usually denoted <math>s_R</math>) in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.
	----		----
	{{TAG\|LIBMBD_MBD_BETA}} allows ~~choosing~~ the value of the damping parameter <math>\beta</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''mbd_beta''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_MBD_BETA}} is the same as the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the many-body methods.		{{TAG\|LIBMBD_MBD_BETA}} allows to choose the value of the damping parameter <math>\beta</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''mbd_beta''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_MBD_BETA}} is the same as the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the many-body methods.
	{{NB\|mind\| {{TAG\|LIBMBD_MBD_BETA}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_MBD_BETA}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}
	{{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]].}}

Huebsch at 11:16, 19 March 2024

2024-03-19T11:16:07Z

← Older revision		Revision as of 11:16, 19 March 2024
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	Description: {{TAG\|LIBMBD_MBD_BETA}} sets the value of the scaling factor <math>\beta</math> (usually denoted <math>s_R</math>) in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.		Description: {{TAG\|LIBMBD_MBD_BETA}} sets the value of the scaling factor <math>\beta</math> (usually denoted <math>s_R</math>) in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.
	----		----
	{{TAG\|LIBMBD_MBD_BETA}} allows ~~to choose~~ the value of the damping parameter <math>\beta</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''mbd_beta''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_MBD_BETA}} is the same as the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the many-body methods.		{{TAG\|LIBMBD_MBD_BETA}} allows choosing the value of the damping parameter <math>\beta</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''mbd_beta''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_MBD_BETA}} is the same as the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the many-body methods.
	{{NB\|mind\| {{TAG\|LIBMBD_MBD_BETA}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_MBD_BETA}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}
	{{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]].}}

Huebsch at 11:15, 19 March 2024

2024-03-19T11:15:32Z

← Older revision		Revision as of 11:15, 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]]

Huebsch: Huebsch moved page Construction:LIBMBD MBD BETA to LIBMBD MBD BETA without leaving a redirect

2024-03-19T11:15:16Z

Huebsch moved page Construction:LIBMBD MBD BETA to LIBMBD MBD BETA without leaving a redirect

← Older revision	Revision as of 11:15, 19 March 2024
(No difference)

Ftran at 16:46, 7 February 2024

2024-02-07T16:46:51Z

← Older revision		Revision as of 16:46, 7 February 2024
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	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}},		{{TAG\|LIBMBD_METHOD}},
			{{TAG\|LIBMBD_XC}},
	{{TAG\|LIBMBD_MBD_A}},		{{TAG\|LIBMBD_MBD_A}},
	[[Many-body dispersion energy\|Many-body dispersion energy]]		[[Many-body dispersion energy\|Many-body dispersion energy]]

Ftran at 16:42, 7 February 2024

2024-02-07T16:42:52Z

← Older revision		Revision as of 16:42, 7 February 2024
Line 4:		Line 4:
	Description: {{TAG\|LIBMBD_MBD_BETA}} sets the value of the scaling factor <math>\beta</math> (usually denoted <math>s_R</math>) in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.		Description: {{TAG\|LIBMBD_MBD_BETA}} sets the value of the scaling factor <math>\beta</math> (usually denoted <math>s_R</math>) in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.
	----		----
	{{TAG\|LIBMBD_MBD_BETA}} allows to choose the value of the damping parameter <math>a</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''~~mbd_a~~''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_MBD_BETA}} is the same as the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the many-body methods.		{{TAG\|LIBMBD_MBD_BETA}} allows to choose the value of the damping parameter <math>\beta</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''mbd_beta''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_MBD_BETA}} is the same as the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the many-body methods.
	{{NB\|mind\| {{TAG\|LIBMBD_MBD_BETA}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_MBD_BETA}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}
	{{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]].}}

Ftran at 16:41, 7 February 2024

2024-02-07T16:41:55Z

← Older revision		Revision as of 16:41, 7 February 2024
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	{{TAGDEF\|LIBMBD_MBD_BETA\|[real]\|value that was determined for the exchange-correlation functional set with {{TAG\|LIBMBD_XC}}}}		{{TAGDEF\|LIBMBD_MBD_BETA\|[real]\|value that was determined for the exchange-correlation functional set with {{TAG\|LIBMBD_XC}}}}

	Description: {{TAG\|LIBMBD_MBD_BETA}} sets the value of the scaling factor <math>\beta</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.		Description: {{TAG\|LIBMBD_MBD_BETA}} sets the value of the scaling factor <math>\beta</math> (usually denoted <math>s_R</math>) in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.
	----		----
	{{TAG\|LIBMBD_MBD_BETA}} allows to choose the value of the damping parameter <math>a</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''mbd_a''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_MBD_BETA}} is the same as the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the many-body methods.		{{TAG\|LIBMBD_MBD_BETA}} allows to choose the value of the damping parameter <math>a</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''mbd_a''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_MBD_BETA}} is the same as the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the many-body methods.

Ftran: Created page with "{{DISPLAYTITLE:LIBMBD_MBD_BETA}} {{TAGDEF|LIBMBD_MBD_BETA|[real]|value that was determined for the exchange-correlation functional set with {{TAG|LIBMBD_XC}}}} Description: {{TAG|LIBMBD_MBD_BETA}} sets the value of the scaling factor $\beta$ in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_MBD_BETA}} allows to choose the value of the damp..."

2024-02-07T16:39:55Z

Created page with "{{DISPLAYTITLE:LIBMBD_MBD_BETA}} {{TAGDEF|LIBMBD_MBD_BETA|[real]|value that was determined for the exchange-correlation functional set with {{TAG|LIBMBD_XC}}}} Description: {{TAG|LIBMBD_MBD_BETA}} sets the value of the scaling factor <math>\beta</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_MBD_BETA}} allows to choose the value of the damp..."

New page

{{DISPLAYTITLE:LIBMBD_MBD_BETA}}
{{TAGDEF|LIBMBD_MBD_BETA|[real]|value that was determined for the exchange-correlation functional set with {{TAG|LIBMBD_XC}}}}

Description: {{TAG|LIBMBD_MBD_BETA}} sets the value of the scaling factor <math>\beta</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}.
----
{{TAG|LIBMBD_MBD_BETA}} allows to choose the value of the damping parameter <math>a</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''mbd_a''' described at the page {{cite|libmbd_input}}. {{TAG|LIBMBD_MBD_BETA}} is the same as the {{TAG|VDW_SR}} tag that is used for the VASP implementation of the many-body methods.
{{NB|mind| {{TAG|LIBMBD_MBD_BETA}} can be set only if {{TAG|LIBMBD_XC}}{{=}}none.}}
{{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]].

== Related tags and articles ==
{{TAG|LIBMBD_METHOD}},
{{TAG|LIBMBD_MBD_A}},
[[Many-body dispersion energy|Many-body dispersion energy]]

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

== References ==
<references/>

----