LIBMBD METHOD - Revision history

Ftran at 14:01, 19 March 2024

2024-03-19T14:01:46Z

← Older revision		Revision as of 14:01, 19 March 2024
Line 6:		Line 6:
	{{TAG\|LIBMBD_METHOD}} can be set to a label (string) corresponding to one of the methods listed on the libMBD website (see '''method''' at the page {{cite\|libmbd_input}}).		{{TAG\|LIBMBD_METHOD}} can be set to a label (string) corresponding to one of the methods listed on the libMBD website (see '''method''' at the page {{cite\|libmbd_input}}).
	{{NB\|mind\| Note that the use of the mbd-nl method{{cite\|hermann:prl:2020}} is currently not possible, since the associated atomic polarizabilities and semilocal functional are currently not implemented in VASP.}}		{{NB\|mind\| Note that the use of the mbd-nl method{{cite\|hermann:prl:2020}} is currently not possible, since the associated atomic polarizabilities and semilocal functional are currently not implemented in VASP.}}
	{{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 11:11, 19 March 2024

2024-03-19T11:11:07Z

← Older revision		Revision as of 11:11, 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 METHOD to LIBMBD METHOD without leaving a redirect

2024-03-19T11:10:53Z

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

← Older revision	Revision as of 11:10, 19 March 2024
(No difference)

Ftran at 19:00, 9 February 2024

2024-02-09T19:00:05Z

← Older revision		Revision as of 19:00, 9 February 2024
Line 5:		Line 5:
	----		----
	{{TAG\|LIBMBD_METHOD}} can be set to a label (string) corresponding to one of the methods listed on the libMBD website (see '''method''' at the page {{cite\|libmbd_input}}).		{{TAG\|LIBMBD_METHOD}} can be set to a label (string) corresponding to one of the methods listed on the libMBD website (see '''method''' at the page {{cite\|libmbd_input}}).
	{{NB\|~~Mind~~\| Note that the use of the mbd-nl method{{cite\|hermann:prl:2020}} is currently not possible, since the associated atomic polarizabilities and semilocal functional are currently not implemented in VASP.}}		{{NB\|mind\| Note that the use of the mbd-nl method{{cite\|hermann:prl:2020}} is currently not possible, since the associated atomic polarizabilities and semilocal functional are currently not implemented in VASP.}}
	{{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 18:58, 9 February 2024

2024-02-09T18:58:53Z

← Older revision		Revision as of 18:58, 9 February 2024
Line 5:		Line 5:
	----		----
	{{TAG\|LIBMBD_METHOD}} can be set to a label (string) corresponding to one of the methods listed on the libMBD website (see '''method''' at the page {{cite\|libmbd_input}}).		{{TAG\|LIBMBD_METHOD}} can be set to a label (string) corresponding to one of the methods listed on the libMBD website (see '''method''' at the page {{cite\|libmbd_input}}).
			{{NB\|Mind\| Note that the use of the mbd-nl method{{cite\|hermann:prl:2020}} is currently not possible, since the associated atomic polarizabilities and semilocal functional are currently not implemented in VASP.}}
	{{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 15:25, 9 February 2024

2024-02-09T15:25:54Z

← Older revision		Revision as of 15:25, 9 February 2024
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	{{TAG\|LIBMBD_K_GRID_SHIFT}},		{{TAG\|LIBMBD_K_GRID_SHIFT}},
	{{TAG\|LIBMBD_PARALLEL_MODE}},		{{TAG\|LIBMBD_PARALLEL_MODE}},
			[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],
			[[Many-body dispersion energy\|Many-body dispersion energy]]

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

Ftran at 16:51, 8 February 2024

2024-02-08T16:51:02Z

← Older revision		Revision as of 16:51, 8 February 2024
Line 20:		Line 20:
	{{TAG\|LIBMBD_N_OMEGA_GRID}},		{{TAG\|LIBMBD_N_OMEGA_GRID}},
	{{TAG\|LIBMBD_K_GRID}},		{{TAG\|LIBMBD_K_GRID}},
	{{TAG\|LIBMBD_K_GRID_SHIFT}}		{{TAG\|LIBMBD_K_GRID_SHIFT}},
			{{TAG\|LIBMBD_PARALLEL_MODE}},

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

Ftran at 16:49, 8 February 2024

2024-02-08T16:49:48Z

← Older revision		Revision as of 16:49, 8 February 2024
Line 17:		Line 17:
	{{TAG\|LIBMBD_ALPHA}},		{{TAG\|LIBMBD_ALPHA}},
	{{TAG\|LIBMBD_C6AU}},		{{TAG\|LIBMBD_C6AU}},
	{{TAG\|~~LIBMBD_RADIUS~~}},		{{TAG\|LIBMBD_R0AU}},
	{{TAG\|LIBMBD_N_OMEGA_GRID}},		{{TAG\|LIBMBD_N_OMEGA_GRID}},
	{{TAG\|LIBMBD_K_GRID}},		{{TAG\|LIBMBD_K_GRID}},

Ftran at 15:35, 7 February 2024

2024-02-07T15:35:18Z

@@ Line 7: / Line 7: @@
 {{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_METHOD|Examples|Examples that use this tag}}

Ftran at 13:20, 7 February 2024

2024-02-07T13:20:14Z

← Older revision		Revision as of 13:20, 7 February 2024
Line 2:		Line 2:
	{{TAGDEF\|LIBMBD_METHOD\|[string]\|mbd-rsscs (default in libMBD)}}		{{TAGDEF\|LIBMBD_METHOD\|[string]\|mbd-rsscs (default in libMBD)}}

	Description: {{TAG\|LIBMBD_METHOD}} selects one of the ~~van der Waals~~ methods available in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.		Description: {{TAG\|LIBMBD_METHOD}} selects one of the methods available in the library libMBD of many-body dispersion methods{{cite\|libmbd_1}}{{cite\|libmbd_2}}{{cite\|hermann:jcp:2023}}.
	----		----
	{{TAG\|LIBMBD_METHOD}} can be set to a label (string) corresponding to one of the methods listed on the libMBD website (see '''method''' at the page {{cite\|libmbd_input}}).		{{TAG\|LIBMBD_METHOD}} can be set to a label (string) corresponding to one of the methods listed on the libMBD website (see '''method''' at the page {{cite\|libmbd_input}}).

← Older revision		Revision as of 16:51, 8 February 2024
Line 20:		Line 20:
	{{TAG\|LIBMBD_N_OMEGA_GRID}},		{{TAG\|LIBMBD_N_OMEGA_GRID}},
	{{TAG\|LIBMBD_K_GRID}},		{{TAG\|LIBMBD_K_GRID}},
	{{TAG\|LIBMBD_K_GRID_SHIFT}}		{{TAG\|LIBMBD_K_GRID_SHIFT}},
			{{TAG\|LIBMBD_PARALLEL_MODE}},

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

← Older revision		Revision as of 16:49, 8 February 2024
Line 17:		Line 17:
	{{TAG\|LIBMBD_ALPHA}},		{{TAG\|LIBMBD_ALPHA}},
	{{TAG\|LIBMBD_C6AU}},		{{TAG\|LIBMBD_C6AU}},
	{{TAG\|~~LIBMBD_RADIUS~~}},		{{TAG\|LIBMBD_R0AU}},
	{{TAG\|LIBMBD_N_OMEGA_GRID}},		{{TAG\|LIBMBD_N_OMEGA_GRID}},
	{{TAG\|LIBMBD_K_GRID}},		{{TAG\|LIBMBD_K_GRID}},