LIBMBD MBD A - Revision history

Ftran at 13:58, 19 March 2024

2024-03-19T13:58:07Z

← Older revision		Revision as of 13:58, 19 March 2024
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	{{TAG\|LIBMBD_MBD_A}} 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_A}} 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}}.
	{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} 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

2024-03-19T11:18:54Z

← Older revision		Revision as of 11:18, 19 March 2024
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	Description: {{TAG\|LIBMBD_MBD_A}} sets 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}}.		Description: {{TAG\|LIBMBD_MBD_A}} sets 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}}.
	----		----
	{{TAG\|LIBMBD_MBD_A}} allows ~~choosing~~ 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_A}} 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}}.
	{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} 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: Huebsch moved page Construction:LIBMBD MBD A to LIBMBD MBD A without leaving a redirect

2024-03-19T11:14:50Z

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

← Older revision	Revision as of 11:14, 19 March 2024
(No difference)

Huebsch at 11:14, 19 March 2024

2024-03-19T11:14:37Z

← Older revision		Revision as of 11:14, 19 March 2024
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	Description: {{TAG\|LIBMBD_MBD_A}} sets 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}}.		Description: {{TAG\|LIBMBD_MBD_A}} sets 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}}.
	----		----
	{{TAG\|LIBMBD_MBD_A}} 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_A}} allows choosing 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}}.
	{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} 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]].}}
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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 16:50, 7 February 2024

2024-02-07T16:50:17Z

← Older revision		Revision as of 16:50, 7 February 2024
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	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}},		{{TAG\|LIBMBD_METHOD}},
	{{TAG\|~~LIBMBD_LIBXC~~}},		{{TAG\|LIBMBD_XC}},
	{{TAG\|LIBMBD_MBD_BETA}},		{{TAG\|LIBMBD_MBD_BETA}},
	[[Many-body dispersion energy\|Many-body dispersion energy]]		[[Many-body dispersion energy\|Many-body dispersion energy]]

Ftran at 16:50, 7 February 2024

2024-02-07T16:50:06Z

← Older revision		Revision as of 16:50, 7 February 2024
Line 11:		Line 11:
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}},		{{TAG\|LIBMBD_METHOD}},
	{{TAG\|~~LIBMBD_MBD_A~~}},		{{TAG\|LIBMBD_LIBXC}},
	{{TAG\|LIBMBD_MBD_BETA}},		{{TAG\|LIBMBD_MBD_BETA}},
	[[Many-body dispersion energy\|Many-body dispersion energy]]		[[Many-body dispersion energy\|Many-body dispersion energy]]

Ftran at 16:48, 7 February 2024

2024-02-07T16:48:08Z

← Older revision		Revision as of 16:48, 7 February 2024
Line 11:		Line 11:
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}},		{{TAG\|LIBMBD_METHOD}},
			{{TAG\|LIBMBD_MBD_A}},
	{{TAG\|LIBMBD_MBD_BETA}},		{{TAG\|LIBMBD_MBD_BETA}},
	[[Many-body dispersion energy\|Many-body dispersion energy]]		[[Many-body dispersion energy\|Many-body dispersion energy]]

Ftran at 16:33, 7 February 2024

2024-02-07T16:33:12Z

← Older revision		Revision as of 16:33, 7 February 2024
Line 2:		Line 2:
	{{TAGDEF\|LIBMBD_MBD_A\|[real]\|6.0}}		{{TAGDEF\|LIBMBD_MBD_A\|[real]\|6.0}}

	Description: {{TAG\|LIBMBD_MBD_A}} sets the value of the damping parameter <math>a</math> in ~~one of~~ 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_A}} sets 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}}.
	----		----
	{{TAG\|LIBMBD_MBD_A}} allows to choose the value of the damping parameter <math>a</math> in ~~one of~~ 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_A}} 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}}.
	{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} 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 16:30, 7 February 2024

2024-02-07T16:30:21Z

← Older revision		Revision as of 16:30, 7 February 2024
Line 11:		Line 11:
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}},		{{TAG\|LIBMBD_METHOD}},
			{{TAG\|LIBMBD_MBD_BETA}},
	[[Many-body dispersion energy\|Many-body dispersion energy]]		[[Many-body dispersion energy\|Many-body dispersion energy]]

Ftran at 16:29, 7 February 2024

2024-02-07T16:29:35Z

← Older revision		Revision as of 16:29, 7 February 2024
Line 5:		Line 5:
	----		----
	{{TAG\|LIBMBD_MBD_A}} allows to choose the value of the damping parameter <math>a</math> in one of 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_A}} allows to choose the value of the damping parameter <math>a</math> in one of 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}}.
	{{NB\|mind\| {{TAG\|~~LIBMBD_TS_SR~~}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} 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]].}}
	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]].

← Older revision		Revision as of 13:58, 19 March 2024
Line 6:		Line 6:
	{{TAG\|LIBMBD_MBD_A}} 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_A}} 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}}.
	{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} 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]].

← Older revision		Revision as of 11:18, 19 March 2024
Line 4:		Line 4:
	Description: {{TAG\|LIBMBD_MBD_A}} sets 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}}.		Description: {{TAG\|LIBMBD_MBD_A}} sets 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}}.
	----		----
	{{TAG\|LIBMBD_MBD_A}} allows ~~choosing~~ 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_A}} 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}}.
	{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_MBD_A}} 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]].}}

← Older revision		Revision as of 16:50, 7 February 2024
Line 11:		Line 11:
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}},		{{TAG\|LIBMBD_METHOD}},
	{{TAG\|~~LIBMBD_LIBXC~~}},		{{TAG\|LIBMBD_XC}},
	{{TAG\|LIBMBD_MBD_BETA}},		{{TAG\|LIBMBD_MBD_BETA}},
	[[Many-body dispersion energy\|Many-body dispersion energy]]		[[Many-body dispersion energy\|Many-body dispersion energy]]

← Older revision		Revision as of 16:50, 7 February 2024
Line 11:		Line 11:
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}},		{{TAG\|LIBMBD_METHOD}},
	{{TAG\|~~LIBMBD_MBD_A~~}},		{{TAG\|LIBMBD_LIBXC}},
	{{TAG\|LIBMBD_MBD_BETA}},		{{TAG\|LIBMBD_MBD_BETA}},
	[[Many-body dispersion energy\|Many-body dispersion energy]]		[[Many-body dispersion energy\|Many-body dispersion energy]]

← Older revision		Revision as of 16:48, 7 February 2024
Line 11:		Line 11:
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}},		{{TAG\|LIBMBD_METHOD}},
			{{TAG\|LIBMBD_MBD_A}},
	{{TAG\|LIBMBD_MBD_BETA}},		{{TAG\|LIBMBD_MBD_BETA}},
	[[Many-body dispersion energy\|Many-body dispersion energy]]		[[Many-body dispersion energy\|Many-body dispersion energy]]