LIBMBD TS SR - Revision history

Ftran at 14:00, 19 March 2024

2024-03-19T14:00:15Z

← Older revision		Revision as of 14:00, 19 March 2024
Line 6:		Line 6:
	{{TAG\|LIBMBD_TS_SR}} allows to choose the value of the scaling factor <math>s_R</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} 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 '''ts_sr''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_TS_SR}} is similar to the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the Tkatchenko-Scheffler method.		{{TAG\|LIBMBD_TS_SR}} allows to choose the value of the scaling factor <math>s_R</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} 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 '''ts_sr''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_TS_SR}} is similar to the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the Tkatchenko-Scheffler method.
	{{NB\|mind\| {{TAG\|LIBMBD_TS_SR}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_TS_SR}} 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: Huebsch moved page Construction:LIBMBD TS SR to LIBMBD TS SR without leaving a redirect

2024-03-19T11:13:55Z

Huebsch moved page Construction:LIBMBD TS SR to LIBMBD TS SR without leaving a redirect

← Older revision	Revision as of 11:13, 19 March 2024
(No difference)

Huebsch at 11:13, 19 March 2024

2024-03-19T11:13:42Z

← Older revision		Revision as of 11:13, 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 16:00, 7 February 2024

2024-02-07T16:00:46Z

← Older revision		Revision as of 16:00, 7 February 2024
Line 12:		Line 12:
	{{TAG\|LIBMBD_METHOD}},		{{TAG\|LIBMBD_METHOD}},
	{{TAG\|LIBMBD_XC}},		{{TAG\|LIBMBD_XC}},
	{{TAG\|LIBMBD_TS_D}}		{{TAG\|LIBMBD_TS_D}},
	[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]]		[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]]

Ftran at 16:00, 7 February 2024

2024-02-07T16:00:21Z

← Older revision		Revision as of 16:00, 7 February 2024
Line 11:		Line 11:
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LIBMBD_METHOD}},		{{TAG\|LIBMBD_METHOD}},
			{{TAG\|LIBMBD_XC}},
			{{TAG\|LIBMBD_TS_D}}
	[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]]		[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]]

Ftran at 15:57, 7 February 2024

2024-02-07T15:57:29Z

← Older revision		Revision as of 15:57, 7 February 2024
Line 2:		Line 2:
	{{TAGDEF\|LIBMBD_TS_SR\|[real]\|value that was determined for the exchange-correlation functional set with {{TAG\|LIBMBD_XC}}}}		{{TAGDEF\|LIBMBD_TS_SR\|[real]\|value that was determined for the exchange-correlation functional set with {{TAG\|LIBMBD_XC}}}}

	Description: {{TAG\|LIBMBD_TS_SR}} sets the value of the scaling factor <math>~~S_R~~</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.		Description: {{TAG\|LIBMBD_TS_SR}} sets the value of the scaling factor <math>s_R</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.
	----		----
	{{TAG\|LIBMBD_TS_SR}} allows to choose the value of the scaling factor <math>~~S_R~~</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} 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 '''ts_sr''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_TS_SR}} is similar to the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the Tkatchenko-Scheffler method.		{{TAG\|LIBMBD_TS_SR}} allows to choose the value of the scaling factor <math>s_R</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} 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 '''ts_sr''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_TS_SR}} is similar to the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the Tkatchenko-Scheffler method.
	{{NB\|mind\| {{TAG\|LIBMBD_TS_SR}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none.}}		{{NB\|mind\| {{TAG\|LIBMBD_TS_SR}} 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 15:56, 7 February 2024

2024-02-07T15:56:36Z

← Older revision		Revision as of 15:56, 7 February 2024
Line 5:		Line 5:
	----		----
	{{TAG\|LIBMBD_TS_SR}} allows to choose the value of the scaling factor <math>S_R</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} 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 '''ts_sr''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_TS_SR}} is similar to the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the Tkatchenko-Scheffler method.		{{TAG\|LIBMBD_TS_SR}} allows to choose the value of the scaling factor <math>S_R</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} 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 '''ts_sr''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_TS_SR}} is similar to the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the Tkatchenko-Scheffler method.
	{{NB\|mind\| {{TAG\|LIBMBD_TS_SR}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none}}		{{NB\|mind\| {{TAG\|LIBMBD_TS_SR}} 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]].

Ftran at 15:56, 7 February 2024

2024-02-07T15:56:11Z

← Older revision		Revision as of 15:56, 7 February 2024
Line 6:		Line 6:
	{{TAG\|LIBMBD_TS_SR}} allows to choose the value of the scaling factor <math>S_R</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} 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 '''ts_sr''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_TS_SR}} is similar to the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the Tkatchenko-Scheffler method.		{{TAG\|LIBMBD_TS_SR}} allows to choose the value of the scaling factor <math>S_R</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} 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 '''ts_sr''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_TS_SR}} is similar to the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the Tkatchenko-Scheffler method.
	{{NB\|mind\| {{TAG\|LIBMBD_TS_SR}} can be set only if {{TAG\|LIBMBD_XC}}{{=}}none}}		{{NB\|mind\| {{TAG\|LIBMBD_TS_SR}} 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]].

Ftran at 15:56, 7 February 2024

2024-02-07T15:56:01Z

← Older revision		Revision as of 15:56, 7 February 2024
Line 1:		Line 1:
	{{DISPLAYTITLE:LIBMBD_TS_SR}}		{{DISPLAYTITLE:LIBMBD_TS_SR}}
	{{TAGDEF\|LIBMBD_TS_SR\|[real]\|20}}		{{TAGDEF\|LIBMBD_TS_SR\|[real]\|value that was determined for the exchange-correlation functional set with {{TAG\|LIBMBD_XC}}}}

	Description: {{TAG\|LIBMBD_TS_SR}} sets the value of the ~~damping parameter~~ <math>d</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.		Description: {{TAG\|LIBMBD_TS_SR}} sets the value of the scaling factor <math>S_R</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} as implemented in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.
	----		----
	{{TAG\|LIBMBD_TS_SR}} allows to choose the value of the ~~damping parameter~~ <math>d</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} 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 '''~~ts_d~~''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_TS_SR}} is similar to the {{TAG\|~~VDW_D~~}} tag that is used for the VASP implementation of the Tkatchenko-Scheffler method.		{{TAG\|LIBMBD_TS_SR}} allows to choose the value of the scaling factor <math>S_R</math> in the Tkatchenko-Scheffler method{{cite\|tkatchenko:prl:09}} 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 '''ts_sr''' described at the page {{cite\|libmbd_input}}. {{TAG\|LIBMBD_TS_SR}} is similar to the {{TAG\|VDW_SR}} tag that is used for the VASP implementation of the Tkatchenko-Scheffler method.
			{{NB\|mind\| {{TAG\|LIBMBD_TS_SR}} 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]].

Ftran: Created page with "{{DISPLAYTITLE:LIBMBD_TS_SR}} {{TAGDEF|LIBMBD_TS_SR|[real]|20}} Description: {{TAG|LIBMBD_TS_SR}} sets the value of the damping parameter $d$ in the Tkatchenko-Scheffler method{{cite|tkatchenko:prl:09}} as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_TS_SR}} allows to choose the value of the damping parameter $d$ in the Tkatchenko-Scheffler method{{ci..."

2024-02-07T15:50:14Z

Created page with "{{DISPLAYTITLE:LIBMBD_TS_SR}} {{TAGDEF|LIBMBD_TS_SR|[real]|20}} Description: {{TAG|LIBMBD_TS_SR}} sets the value of the damping parameter <math>d</math> in the Tkatchenko-Scheffler method{{cite|tkatchenko:prl:09}} as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_TS_SR}} allows to choose the value of the damping parameter <math>d</math> in the Tkatchenko-Scheffler method{{ci..."

New page

{{DISPLAYTITLE:LIBMBD_TS_SR}}
{{TAGDEF|LIBMBD_TS_SR|[real]|20}}

Description: {{TAG|LIBMBD_TS_SR}} sets the value of the damping parameter <math>d</math> in the Tkatchenko-Scheffler method{{cite|tkatchenko:prl:09}} as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}.
----
{{TAG|LIBMBD_TS_SR}} allows to choose the value of the damping parameter <math>d</math> in the Tkatchenko-Scheffler method{{cite|tkatchenko:prl:09}} 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 '''ts_d''' described at the page {{cite|libmbd_input}}. {{TAG|LIBMBD_TS_SR}} is similar to the {{TAG|VDW_D}} tag that is used for the VASP implementation of the Tkatchenko-Scheffler method.
{{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}},
[[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]]

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

== References ==
<references/>

----