LNMRSHIELD - Revision history

Csheldon at 13:50, 10 March 2026

2026-03-10T13:50:59Z

← Older revision		Revision as of 13:50, 10 March 2026
Line 12:		Line 12:
	{{FILE\|LCHIMAG}}		{{FILE\|LCHIMAG}}

	~~<!--~~ [[Category:INCAR tag]][[Category:NMR]] ~~-->~~		[[Category:INCAR tag]][[Category:NMR]]

Csheldon at 09:03, 10 March 2026

2026-03-10T09:03:53Z

← Older revision		Revision as of 09:03, 10 March 2026
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	{{Available\|6.6.0}}		{{Available\|6.6.0}}
	----		----
	~~{{not released}}~~
	The chemical shielding <math>\sigma_{ij}</math> is printed by default (i.e. {{TAG\|LNMRSHIELD}} = .TRUE.) in the {{FILE\|OUTCAR}} file. When {{TAG\|LNMRSHIELD}} = .FALSE. is set, the chemical shift <math>\delta_{ij}</math> is printed instead (<math>\delta_{i,j} = -\sigma_{ij}</math>), as was the default prior to VASP.6.6.0.		The chemical shielding <math>\sigma_{ij}</math> is printed by default (i.e. {{TAG\|LNMRSHIELD}} = .TRUE.) in the {{FILE\|OUTCAR}} file. When {{TAG\|LNMRSHIELD}} = .FALSE. is set, the chemical shift <math>\delta_{ij}</math> is printed instead (<math>\delta_{i,j} = -\sigma_{ij}</math>), as was the default prior to VASP.6.6.0.
	{{NB\|mind\|The NICS is always shielding and is unaffected by {{TAG\|LNMRSHIELD}}.}}		{{NB\|mind\|The NICS is always shielding and is unaffected by {{TAG\|LNMRSHIELD}}.}}

Csheldon: Csheldon moved page Construction:LNMRSHIELD to LNMRSHIELD

2026-03-06T09:55:00Z

Csheldon moved page Construction:LNMRSHIELD to LNMRSHIELD

← Older revision	Revision as of 09:55, 6 March 2026
(No difference)

Csheldon at 08:58, 29 January 2026

2026-01-29T08:58:32Z

← Older revision		Revision as of 08:58, 29 January 2026
Line 7:		Line 7:
	----		----
	{{not released}}		{{not released}}
	The chemical shielding <math>\sigma_{ij}</math> is printed by default (i.e. {{TAG\|LNMRSHIELD}} = .TRUE.) in the {{FILE\|OUTCAR}} file. When {{TAG\|LNMRSHIELD}} = .FALSE. is set, the chemical shift <math>\delta_{ij}</math> is printed instead (<math>\delta_{i,j} = -\sigma_{ij}</math>), as was the default prior to VASP.6.5.2.		The chemical shielding <math>\sigma_{ij}</math> is printed by default (i.e. {{TAG\|LNMRSHIELD}} = .TRUE.) in the {{FILE\|OUTCAR}} file. When {{TAG\|LNMRSHIELD}} = .FALSE. is set, the chemical shift <math>\delta_{ij}</math> is printed instead (<math>\delta_{i,j} = -\sigma_{ij}</math>), as was the default prior to VASP.6.6.0.
	{{NB\|mind\|The NICS is always shielding and is unaffected by {{TAG\|LNMRSHIELD}}.}}		{{NB\|mind\|The NICS is always shielding and is unaffected by {{TAG\|LNMRSHIELD}}.}}

Csheldon at 08:58, 29 January 2026

2026-01-29T08:58:20Z

← Older revision		Revision as of 08:58, 29 January 2026
Line 4:		Line 4:

	Description: {{TAG\|LNMRSHIELD}} controls whether the shielding or shift is printed.		Description: {{TAG\|LNMRSHIELD}} controls whether the shielding or shift is printed.
			{{Available\|6.6.0}}
	----		----
	{{not released}}		{{not released}}

Csheldon at 14:16, 21 March 2025

2025-03-21T14:16:06Z

← Older revision		Revision as of 14:16, 21 March 2025
Line 6:		Line 6:
	----		----
	{{not released}}		{{not released}}
	The chemical shielding <math>\sigma_{ij}</math> is printed by default (i.e. {{TAG\|LNMRSHIELD}} = .TRUE.) in the {{FILE\|OUTCAR}} file. When {{TAG\|LNMRSHIELD}} = .FALSE. is set, the chemical shift <math>\delta_{ij}</math> (<math>\delta_{i,j} = -\sigma_{ij}</math>) ~~is printed instead~~, as was the default ~~pre~~ VASP.6.5.2.		The chemical shielding <math>\sigma_{ij}</math> is printed by default (i.e. {{TAG\|LNMRSHIELD}} = .TRUE.) in the {{FILE\|OUTCAR}} file. When {{TAG\|LNMRSHIELD}} = .FALSE. is set, the chemical shift <math>\delta_{ij}</math> is printed instead (<math>\delta_{i,j} = -\sigma_{ij}</math>), as was the default prior to VASP.6.5.2.
	{{NB\|mind\|The NICS is always shielding and is unaffected by {{TAG\|LNMRSHIELD}}.}}		{{NB\|mind\|The NICS is always shielding and is unaffected by {{TAG\|LNMRSHIELD}}.}}

Csheldon: Created page with "{{DISPLAYTITLE:LNMRSHIELD}} {{TAGDEF|LNMRSHIELD|.TRUE.{{!}} .FALSE.}} {{DEF|LNMRSHIELD|.TRUE.|}} Description: {{TAG|LNMRSHIELD}} controls whether the shielding or shift is printed. ---- {{not released}} The chemical shielding $\sigma_{ij}$ is printed by default (i.e. {{TAG|LNMRSHIELD}} = .TRUE.) in the {{FILE|OUTCAR}} file. When {{TAG|LNMRSHIELD}} = .FALSE. is set, the chemical shift $\delta_{ij}$ ( $\delta_{i,j} = -\sigma_{ij}$ ) is print..."

2025-03-21T14:15:41Z

Created page with "{{DISPLAYTITLE:LNMRSHIELD}} {{TAGDEF|LNMRSHIELD|.TRUE.{{!}} .FALSE.}} {{DEF|LNMRSHIELD|.TRUE.|}} Description: {{TAG|LNMRSHIELD}} controls whether the shielding or shift is printed. ---- {{not released}} The chemical shielding <math>\sigma_{ij}</math> is printed by default (i.e. {{TAG|LNMRSHIELD}} = .TRUE.) in the {{FILE|OUTCAR}} file. When {{TAG|LNMRSHIELD}} = .FALSE. is set, the chemical shift <math>\delta_{ij}</math> (<math>\delta_{i,j} = -\sigma_{ij}</math>) is print..."

New page

{{DISPLAYTITLE:LNMRSHIELD}}
{{TAGDEF|LNMRSHIELD|.TRUE.{{!}} .FALSE.}}
{{DEF|LNMRSHIELD|.TRUE.|}}

Description: {{TAG|LNMRSHIELD}} controls whether the shielding or shift is printed.
----
{{not released}}
The chemical shielding <math>\sigma_{ij}</math> is printed by default (i.e. {{TAG|LNMRSHIELD}} = .TRUE.) in the {{FILE|OUTCAR}} file. When {{TAG|LNMRSHIELD}} = .FALSE. is set, the chemical shift <math>\delta_{ij}</math> (<math>\delta_{i,j} = -\sigma_{ij}</math>) is printed instead, as was the default pre VASP.6.5.2.
{{NB|mind|The NICS is always shielding and is unaffected by {{TAG|LNMRSHIELD}}.}}

== Related tags and articles ==
{{FILE|LCHIMAG}}