BSEFATBAND - Revision history

Tal at 15:59, 28 June 2023

2023-06-28T15:59:58Z

Tal at 15:28, 20 July 2022

2022-07-20T15:28:04Z

← Older revision		Revision as of 15:28, 20 July 2022
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	The {{FILE\|BSEFATBAND}} file contains the {{TAG\|NBSEEIG}} number of eigenvectors of the BSE ~~matrix~~.		The {{FILE\|BSEFATBAND}} file contains the {{TAG\|NBSEEIG}} number of eigenvectors of the BSE Hamiltonian.

	The file has the following structure:		The file has the following structure:

Tal: /* Related tags and articles */

2022-07-20T07:49:17Z

Tal at 07:41, 20 July 2022

2022-07-20T07:41:09Z

← Older revision		Revision as of 07:41, 20 July 2022
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	''E_h'' and ''E_e'' the hole and electron eigenvalues,		''E_h'' and ''E_e'' the hole and electron eigenvalues,
	''X_BSE'' the component of the eigenvector,		''X_BSE'' the component of the eigenvector,
	''W_k'' the weight of the k-point, and ''NB_h NB_e'' the hole and electron orbital numbers.		''W_k'' the weight of the k point, and ''NB_h NB_e'' the hole and electron orbital numbers.
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|NBSEEIG}}		{{TAG\|NBSEEIG}}
	----		----
	[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]		[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]

Tal at 07:40, 20 July 2022

2022-07-20T07:40:47Z

← Older revision		Revision as of 07:40, 20 July 2022
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	''X_BSE'' the component of the eigenvector,		''X_BSE'' the component of the eigenvector,
	''W_k'' the weight of the k-point, and ''NB_h NB_e'' the hole and electron orbital numbers.		''W_k'' the weight of the k-point, and ''NB_h NB_e'' the hole and electron orbital numbers.

	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|NBSEEIG}}		{{TAG\|NBSEEIG}}
	----		----
	[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]		[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]

Tal at 07:40, 20 July 2022

2022-07-20T07:40:38Z

← Older revision		Revision as of 07:40, 20 July 2022
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	''W_k'' the weight of the k-point, and ''NB_h NB_e'' the hole and electron orbital numbers.		''W_k'' the weight of the k-point, and ''NB_h NB_e'' the hole and electron orbital numbers.

			== Related tags and articles ==
	== Related ~~Tags~~ and ~~Sections~~ ==
	{{TAG\|NBSEEIG}}		{{TAG\|NBSEEIG}}

	----		----
	[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]		[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]

Tal at 15:55, 19 July 2022

2022-07-19T15:55:07Z

← Older revision		Revision as of 15:55, 19 July 2022
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|NBSEEIG}}		{{TAG\|NBSEEIG}}
	---
			----
	[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]		[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]

Tal at 15:54, 19 July 2022

2022-07-19T15:54:41Z

← Older revision		Revision as of 15:54, 19 July 2022
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|NBSEEIG}}		{{TAG\|NBSEEIG}}
	----		---
	[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]		[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]

Tal at 15:54, 19 July 2022

2022-07-19T15:54:18Z

← Older revision		Revision as of 15:54, 19 July 2022
Line 19:		Line 19:
	''W_k'' the weight of the k-point, and ''NB_h NB_e'' the hole and electron orbital numbers.		''W_k'' the weight of the k-point, and ''NB_h NB_e'' the hole and electron orbital numbers.


			== Related Tags and Sections ==
			{{TAG\|NBSEEIG}}
	----		----

	[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]		[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]

Tal at 15:44, 19 July 2022

2022-07-19T15:44:33Z

← Older revision		Revision as of 15:44, 19 July 2022
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	~~This~~ file contains the ~~first~~ {{TAG\|NBSEEIG}} eigenvectors of the BSE matrix.		The {{FILE\|BSEFATBAND}} file contains the {{TAG\|NBSEEIG}} number of eigenvectors of the BSE matrix.

	The structure of the '''~~BSEFATBAND~~''' ~~file has a line and collumn structure~~:		The file has the following structure:
	~~#st line~~: ~~Number of e-h pairs in the BSE basis and value for {{TAG\|NBSEEIG}}~~.
	~~#nd line: the~~ BSE eigenvalue.		''rank of the BSE matrix'' ''NBSEEIG''
	~~#Following lines:~~ BSE ~~eigenvector~~, ~~columns 1-3:~~ k-point coordinates, ~~column 4:~~ hole ~~eigenvalue~~, ~~column 5: electron eigenvalue~~, ~~column 6: absolute value~~ of ~~coupling coefficient~~, ~~column 7:~~ hole ~~orbitalnumber, column 8:~~ electron ~~orbitalnumber, column 9: real part of coupling coefficient, column 10: imaginary part of coupling coefficient~~.		1BSE eigenvalue ''E_BSE'' IP-eigenvalue: ''E_IP''
			''Kx Ky Kz E_h E_e'' Abs(''X_BSE)/W_k'' ''NB_h NB_h'' Re(''X_BSE'')+ i*Im(''X_BSE'')
			...
			2BSE eigenvalue ''E_BSE'' IP-eigenvalue: ''E_IP''
			''Kx Ky Kz E_h E_e'' Abs(''X_BSE)/W_k'' ''NB_h NB_h'' Re(''X_BSE'')+ i*Im(''X_BSE'')
			...
			''NBSEEIG''BSE eigenvalue ''E_BSE'' IP-eigenvalue: ''E_IP''
			''Kx Ky Kz E_h E_e'' Abs(''X_BSE)/W_k'' ''NB_h NB_h'' Re(''X_BSE'')+ i*Im(''X_BSE'')

			where ''E_BSE'' and ''E_IP'' are the BSE and IP transition energies,
			''KX KY KZ'' the k-point coordinates,
			''E_h'' and ''E_e'' the hole and electron eigenvalues,
			''X_BSE'' the component of the eigenvector,
			''W_k'' the weight of the k-point, and ''NB_h NB_e'' the hole and electron orbital numbers.

	----		----

	[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]		[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]

← Older revision		Revision as of 15:59, 28 June 2023
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	''rank of the BSE matrix'' ''NBSEEIG''		''rank of the BSE matrix'' ''NBSEEIG''
	1BSE eigenvalue ''E_BSE'' IP-eigenvalue: ''E_IP''		1BSE eigenvalue ''E_BSE'' IP-eigenvalue: ''E_IP''
	''Kx Ky Kz ~~E_h E_e~~'' Abs(''X_BSE)/W_k'' ''~~NB_h NB_h~~'' Re(''X_BSE'')+ i*Im(''X_BSE'')		''Kx Ky Kz E_v E_c'' Abs(''X_BSE)/W_k'' ''NB_v NB_c'' Re(''X_BSE'')+ i*Im(''X_BSE'')
	...		...
	2BSE eigenvalue ''E_BSE'' IP-eigenvalue: ''E_IP''		2BSE eigenvalue ''E_BSE'' IP-eigenvalue: ''E_IP''
	''Kx Ky Kz ~~E_h E_e~~'' Abs(''X_BSE)/W_k'' ''~~NB_h NB_h~~'' Re(''X_BSE'')+ i*Im(''X_BSE'')		''Kx Ky Kz E_v E_c'' Abs(''X_BSE)/W_k'' ''NB_v NB_c'' Re(''X_BSE'')+ i*Im(''X_BSE'')
	...		...
	''NBSEEIG''BSE eigenvalue ''E_BSE'' IP-eigenvalue: ''E_IP''		''NBSEEIG''BSE eigenvalue ''E_BSE'' IP-eigenvalue: ''E_IP''
	''Kx Ky Kz ~~E_h E_e~~'' Abs(''X_BSE)/W_k'' ''~~NB_h NB_h~~'' Re(''X_BSE'')+ i*Im(''X_BSE'')		''Kx Ky Kz E_v E_c'' Abs(''X_BSE)/W_k'' ''NB_v NB_c'' Re(''X_BSE'')+ i*Im(''X_BSE'')

	where ''E_BSE'' and ''E_IP'' are the BSE and IP transition energies,		where ''E_BSE'' and ''E_IP'' are the BSE and IP transition energies,
	''KX KY KZ'' the k-point coordinates,		''KX KY KZ'' the k-point coordinates,
	''~~E_h~~'' and ''~~E_e~~'' the ~~hole~~ and ~~electron eigenvalues~~,		''E_v'' and ''E_c'' the eigenvalues of the valence and conduction band, respectively,
	''X_BSE'' the component of the eigenvector,		''X_BSE'' the component of the eigenvector,
	''W_k'' the weight of the k point, and ''~~NB_h NB_e~~'' the ~~hole~~ and ~~electron~~ orbital numbers.		''W_k'' the weight of the k point, and ''NB_v NB_c'' the valence and conduction orbital numbers.
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|NBSEEIG}}, [[BSE calculations]]		{{TAG\|NBSEEIG}}, [[BSE calculations]]
	----		----
	[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]		[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]

← Older revision		Revision as of 07:49, 20 July 2022
Line 19:		Line 19:
	''W_k'' the weight of the k point, and ''NB_h NB_e'' the hole and electron orbital numbers.		''W_k'' the weight of the k point, and ''NB_h NB_e'' the hole and electron orbital numbers.
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|NBSEEIG}}		{{TAG\|NBSEEIG}}, [[BSE calculations]]
	----		----
	[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]		[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]