LIBMBD XC - Revision history

Ftran at 16:17, 28 January 2026

2026-01-28T16:17:52Z

← Older revision		Revision as of 16:17, 28 January 2026
Line 13:		Line 13:

	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}}		{{TAG\|LIBMBD_METHOD}},
			{{TAG\|GGA}},
			{{TAG\|METAGGA}},
			{{TAG\|XC}}

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

Ftran at 14:00, 19 March 2024

2024-03-19T14:00:57Z

← Older revision		Revision as of 14:00, 19 March 2024
Line 9:		Line 9:

	The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and either {{TAG\|LIBMBD_TS_SR}} or {{TAG\|LIBMBD_MBD_BETA}} has to be set.		The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and either {{TAG\|LIBMBD_TS_SR}} or {{TAG\|LIBMBD_MBD_BETA}} has to be set.
	{{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 XC to LIBMBD XC without leaving a redirect

2024-03-19T11:11:41Z

Huebsch moved page Construction:LIBMBD XC to LIBMBD XC without leaving a redirect

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

Huebsch at 11:11, 19 March 2024

2024-03-19T11:11:24Z

← Older revision		Revision as of 11:11, 19 March 2024
Line 21:		Line 21:

	----		----
	~~<!--~~[[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 16:07, 7 February 2024

2024-02-07T16:07:02Z

← Older revision		Revision as of 16:07, 7 February 2024
Line 8:		Line 8:
	{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.		{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.

	The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected~~, such that the~~ {{TAG\|LIBMBD_TS_SR}} or {{TAG\|LIBMBD_MBD_BETA}} ~~tag~~ has to be set.		The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and either {{TAG\|LIBMBD_TS_SR}} or {{TAG\|LIBMBD_MBD_BETA}} has to be set.
	{{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 16:05, 7 February 2024

2024-02-07T16:05:52Z

← Older revision		Revision as of 16:05, 7 February 2024
Line 8:		Line 8:
	{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.		{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.

	The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected ~~and~~, ~~instead, it is possible to set~~ the ~~parameters manually with the {{TAG\|LIBMBD_TS_D}},~~ {{TAG\|LIBMBD_TS_SR}}~~, {{TAG\|LIBMBD_MBD_A}} and~~ {{TAG\|LIBMBD_MBD_BETA}} ~~tags~~.		The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected, such that the {{TAG\|LIBMBD_TS_SR}} or {{TAG\|LIBMBD_MBD_BETA}} tag has to be set.
	{{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 15:31, 7 February 2024

2024-02-07T15:31:17Z

← Older revision		Revision as of 15:31, 7 February 2024
Line 11:		Line 11:
	{{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_XC\|Examples\|Examples that use this tag}}		{{sc\|LIBMBD_XC\|Examples\|Examples that use this tag}}

Ftran at 14:45, 7 February 2024

2024-02-07T14:45:34Z

← Older revision		Revision as of 14:45, 7 February 2024
Line 8:		Line 8:
	{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.		{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.

	The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and, instead, it is possible to set the parameters manually with ~~either~~ the {{TAG\|LIBMBD_TS_D}} ~~and~~ {{TAG\|LIBMBD_TS_SR}} ~~tags or the~~ {{TAG\|LIBMBD_MBD_A}} and {{TAG\|LIBMBD_MBD_BETA}} tags.		The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and, instead, it is possible to set the parameters manually with the {{TAG\|LIBMBD_TS_D}}, {{TAG\|LIBMBD_TS_SR}}, {{TAG\|LIBMBD_MBD_A}} and {{TAG\|LIBMBD_MBD_BETA}} tags.
	{{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 14:40, 7 February 2024

2024-02-07T14:40:43Z

← Older revision		Revision as of 14:40, 7 February 2024
Line 9:		Line 9:

	The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and, instead, it is possible to set the parameters manually with either the {{TAG\|LIBMBD_TS_D}} and {{TAG\|LIBMBD_TS_SR}} tags or the {{TAG\|LIBMBD_MBD_A}} and {{TAG\|LIBMBD_MBD_BETA}} tags.		The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and, instead, it is possible to set the parameters manually with either the {{TAG\|LIBMBD_TS_D}} and {{TAG\|LIBMBD_TS_SR}} tags or the {{TAG\|LIBMBD_MBD_A}} and {{TAG\|LIBMBD_MBD_BETA}} tags.

	{{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 14:38, 7 February 2024

2024-02-07T14:38:08Z

← Older revision		Revision as of 14:38, 7 February 2024
Line 8:		Line 8:
	{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.		{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.

	The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and, instead, it is possible to set the parameters manually with either the {{TAG\|LIBMBD_TS_D}} and {{TAG\|LIBMBD_TS_SR}} tags or the {{TAG\|LIBMBD_MBD_A}} and {{TAG\|LIBMBD_MBD_BETA}}.		The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and, instead, it is possible to set the parameters manually with either the {{TAG\|LIBMBD_TS_D}} and {{TAG\|LIBMBD_TS_SR}} tags or the {{TAG\|LIBMBD_MBD_A}} and {{TAG\|LIBMBD_MBD_BETA}} tags.

	{{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 16:17, 28 January 2026
Line 13:		Line 13:

	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}}		{{TAG\|LIBMBD_METHOD}},
			{{TAG\|GGA}},
			{{TAG\|METAGGA}},
			{{TAG\|XC}}

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

← Older revision		Revision as of 14:00, 19 March 2024
Line 9:		Line 9:

	The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and either {{TAG\|LIBMBD_TS_SR}} or {{TAG\|LIBMBD_MBD_BETA}} has to be set.		The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and either {{TAG\|LIBMBD_TS_SR}} or {{TAG\|LIBMBD_MBD_BETA}} has to be set.
	{{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 16:07, 7 February 2024
Line 8:		Line 8:
	{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.		{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.

	The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected~~, such that the~~ {{TAG\|LIBMBD_TS_SR}} or {{TAG\|LIBMBD_MBD_BETA}} ~~tag~~ has to be set.		The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected and either {{TAG\|LIBMBD_TS_SR}} or {{TAG\|LIBMBD_MBD_BETA}} has to be set.
	{{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 16:05, 7 February 2024
Line 8:		Line 8:
	{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.		{{TAG\|LIBMBD_XC}} allows to choose the exchange-correlation functional that determines which set of damping parameters is used in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input '''xc''' described at the page {{cite\|libmbd_input}}.

	The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected ~~and~~, ~~instead, it is possible to set~~ the ~~parameters manually with the {{TAG\|LIBMBD_TS_D}},~~ {{TAG\|LIBMBD_TS_SR}}~~, {{TAG\|LIBMBD_MBD_A}} and~~ {{TAG\|LIBMBD_MBD_BETA}} ~~tags~~.		The possible choices depend on the dispersion method selected with the {{TAG\|LIBMBD_METHOD}} tag and are listed in the file mbd_damping.F90 of the libMBD source code. If {{TAG\|LIBMBD_XC}}=none is chosen, then no set of damping parameters is selected, such that the {{TAG\|LIBMBD_TS_SR}} or {{TAG\|LIBMBD_MBD_BETA}} tag has to be set.
	{{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 15:31, 7 February 2024
Line 11:		Line 11:
	{{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_XC\|Examples\|Examples that use this tag}}		{{sc\|LIBMBD_XC\|Examples\|Examples that use this tag}}