NMRCURBX - Revision history

Liebetreu: Reverted edit by Liebetreu (talk) to last revision by Csheldon

2026-04-15T12:37:14Z

Reverted edit by Liebetreu (talk) to last revision by Csheldon

← Older revision		Revision as of 12:37, 15 April 2026
Line 1:		Line 1:
	{{Available\|6.6.0}}		{{Available\|6.6.0}}
	The {{FILE\|NMRCURBX}} file contains the NMR current density in atomic units (hartree ~~bohr²~~). It is written if {{TAG\|WRT_NMRCUR}} is set. The format is the same as {{FILE\|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.		The {{FILE\|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr<math>^2</math>). It is written if {{TAG\|WRT_NMRCUR}} is set. The format is the same as {{FILE\|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.

	== Related tags and articles ==		== Related tags and articles ==

Liebetreu at 11:51, 14 April 2026

2026-04-14T11:51:41Z

← Older revision		Revision as of 11:51, 14 April 2026
Line 1:		Line 1:
	{{Available\|6.6.0}}		{{Available\|6.6.0}}
	The {{FILE\|NMRCURBX}} file contains the NMR current density in atomic units (hartree ~~bohr<math>^2</math>~~). It is written if {{TAG\|WRT_NMRCUR}} is set. The format is the same as {{FILE\|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.		The {{FILE\|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr²). It is written if {{TAG\|WRT_NMRCUR}} is set. The format is the same as {{FILE\|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.

	== Related tags and articles ==		== Related tags and articles ==

Csheldon at 09:04, 10 March 2026

2026-03-10T09:04:12Z

← Older revision		Revision as of 09:04, 10 March 2026
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	~~{{not released}}~~
	{{Available\|6.6.0}}		{{Available\|6.6.0}}
	The {{FILE\|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr<math>^2</math>). It is written if {{TAG\|WRT_NMRCUR}} is set. The format is the same as {{FILE\|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.		The {{FILE\|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr<math>^2</math>). It is written if {{TAG\|WRT_NMRCUR}} is set. The format is the same as {{FILE\|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.

Csheldon at 08:57, 29 January 2026

2026-01-29T08:57:06Z

← Older revision		Revision as of 08:57, 29 January 2026
Line 1:		Line 1:
	{{not released}}		{{not released}}
			{{Available\|6.6.0}}
	The {{FILE\|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr<math>^2</math>). It is written if {{TAG\|WRT_NMRCUR}} is set. The format is the same as {{FILE\|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.		The {{FILE\|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr<math>^2</math>). It is written if {{TAG\|WRT_NMRCUR}} is set. The format is the same as {{FILE\|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.

Huebsch: Huebsch moved page Construction:NMRCURBX to NMRCURBX without leaving a redirect

2025-03-07T11:08:06Z

Huebsch moved page Construction:NMRCURBX to NMRCURBX without leaving a redirect

← Older revision	Revision as of 11:08, 7 March 2025
(No difference)

Huebsch at 11:07, 7 March 2025

2025-03-07T11:07:38Z

← Older revision		Revision as of 11:07, 7 March 2025
Line 1:		Line 1:
			{{not released}}

	The {{FILE\|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr<math>^2</math>). It is written if {{TAG\|WRT_NMRCUR}} is set. The format is the same as {{FILE\|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.		The {{FILE\|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr<math>^2</math>). It is written if {{TAG\|WRT_NMRCUR}} is set. The format is the same as {{FILE\|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.

Huebsch: Created page with "The {{FILE|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr $^2$ ). It is written if {{TAG|WRT_NMRCUR}} is set. The format is the same as {{FILE|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to $j_x$ , $j_y$ , and $j_z$ . == Related tags and articles == {{TAG|WRT_NMRCUR}}, {{TAG|LCHIMAG}}, {{TAG|LLRAUG}} Category:FilesCategory:Output filesCategory:NMR"

2025-03-07T10:47:04Z

Created page with "The {{FILE|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr<math>^2</math>). It is written if {{TAG|WRT_NMRCUR}} is set. The format is the same as {{FILE|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>. == Related tags and articles == {{TAG|WRT_NMRCUR}}, {{TAG|LCHIMAG}}, {{TAG|LLRAUG}} Category:Files Category:Output files Category:NMR"

New page

The {{FILE|NMRCURBX}} file contains the NMR current density in atomic units (hartree bohr<math>^2</math>). It is written if {{TAG|WRT_NMRCUR}} is set. The format is the same as {{FILE|CHGCAR}} with a header to define the grid and then 3 blocks that correspond to <math>j_x</math>, <math>j_y</math>, and <math>j_z</math>.

== Related tags and articles ==
{{TAG|WRT_NMRCUR}}, {{TAG|LCHIMAG}}, {{TAG|LLRAUG}}

[[Category:Files]][[Category:Output files]][[Category:NMR]]