IMAGE 1 - Revision history

Csheldon at 15:22, 19 June 2026

2026-06-19T15:22:17Z

← Older revision		Revision as of 15:22, 19 June 2026
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	{{TAGDEF\|IMAGE_1\|block construct\|None}}		{{TAGDEF\|IMAGE_1\|block construct\|None}}

	Description: Group {{FILE\|INCAR}} settings for calculations using [[IMAGES ~~\| images]]~~.		Description: Group {{FILE\|INCAR}} settings for calculations using {{TAG\|IMAGES}}.
	----		----
	{{TAG\|IMAGE_1}} defines the {{FILE\|INCAR}} settings used for a calculation in an image calculation, e.g., <code>01</code> for [[Nudged elastic bands\|nudged elastic band]] calculations, [[LTEMPER\|parallel tempering]], and [[VCAIMAGES\|thermodynamic integration]]. ~~Tags placed inside an <code>IMAGE_1 { ... }</code> block override the values from the general~~ {{~~FILE~~\|~~INCAR~~}} ~~tags defined outside~~ the ~~image block, which are defaulted to when a~~ tag ~~is not defined in an image block. Omitting an image block means simply that that image ''N'' uses the general settings~~.		{{TAG\|IMAGE_1}} defines the {{FILE\|INCAR}} settings used for a calculation in an image calculation, e.g., <code>01</code> for [[Nudged elastic bands\|nudged elastic band]] calculations, [[LTEMPER\|parallel tempering]], and [[VCAIMAGES\|thermodynamic integration]], cf. {{TAG\|IMAGES}} for use cases of the tag.
			{{NB\|important\|Replace <code>_1</code>, <code>_2</code>, ... with the desired image index (the same index VASP uses for the per-image subdirectories <code>01</code>, <code>02</code>, ...). The number of usable indices is bounded by {{TAG\|IMAGES}}.}}
	~~== Syntax ==~~
	~~# General INCAR tags~~
	~~{{TAGBL\|EDIFF}} = 1E-5 # General setting~~
	~~{{TAGBL\|IMAGE_1}} {~~
	~~# Image 1 INCAR tags~~
	~~{{TAGBL\|EDIFF}} = 1E-6 # Specific for image 1~~
	}

	{{~~TAGBL~~\|~~IMAGE_2}} {~~
	~~# Image 2 INCAR tags~~
	~~{{TAGBL~~\|~~EDIFF}} = 1E-7 # Specific for image 2~~
	}
	~~...~~

	Replace <code>_1</code>, <code>_2</code>, ... with the desired image index (the same index VASP uses for the per-image subdirectories <code>01</code>, <code>02</code>, ...). The number of usable indices is bounded by {{TAG\|IMAGES}}.

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

Csheldon at 15:17, 19 June 2026

2026-06-19T15:17:56Z

← Older revision		Revision as of 15:17, 19 June 2026
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	{{TAGDEF\|IMAGE_1\|block construct\|None}}		{{TAGDEF\|IMAGE_1\|block construct\|None}}

	Description: ~~A grouping construct, allowing~~ {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]] ~~to be defined~~.		Description: Group {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]].
	----		----
	{{TAG\|IMAGE_1}} defines the {{FILE\|INCAR}} settings used for a calculation in an image calculation, e.g., <code>01</code> for [[Nudged elastic bands\|nudged elastic band]] calculations, [[LTEMPER\|parallel tempering]], and [[VCAIMAGES\|thermodynamic integration]]. Tags placed inside an <code>IMAGE_1 { ... }</code> block override the values from the general {{FILE\|INCAR}} tags defined outside the image block, which are defaulted to when a tag is not defined in an image block. Omitting an image block means simply that that image ''N'' uses the general settings.		{{TAG\|IMAGE_1}} defines the {{FILE\|INCAR}} settings used for a calculation in an image calculation, e.g., <code>01</code> for [[Nudged elastic bands\|nudged elastic band]] calculations, [[LTEMPER\|parallel tempering]], and [[VCAIMAGES\|thermodynamic integration]]. Tags placed inside an <code>IMAGE_1 { ... }</code> block override the values from the general {{FILE\|INCAR}} tags defined outside the image block, which are defaulted to when a tag is not defined in an image block. Omitting an image block means simply that that image ''N'' uses the general settings.

Csheldon at 15:17, 19 June 2026

2026-06-19T15:17:06Z

← Older revision		Revision as of 15:17, 19 June 2026
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	{{TAGDEF\|IMAGE_1\|block construct\|None}}		{{TAGDEF\|IMAGE_1\|block construct\|None}}

	Description: ~~The {{TAG\|IMAGE_1}} is a~~ grouping construct, allowing {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]] to be defined.		Description: A grouping construct, allowing {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]] to be defined.
	----		----
	{{TAG\|IMAGE_1}} defines the {{FILE\|INCAR}} settings used for a calculation in an image calculation, e.g., <code>01</code> for [[Nudged elastic bands\|nudged elastic band]] calculations, [[LTEMPER\|parallel tempering]], and [[VCAIMAGES\|thermodynamic integration]]. Tags placed inside an <code>IMAGE_1 { ... }</code> block override the values from the general {{FILE\|INCAR}} tags defined outside the image block, which are defaulted to when a tag is not defined in an image block. Omitting an image block means simply that that image ''N'' uses the general settings.		{{TAG\|IMAGE_1}} defines the {{FILE\|INCAR}} settings used for a calculation in an image calculation, e.g., <code>01</code> for [[Nudged elastic bands\|nudged elastic band]] calculations, [[LTEMPER\|parallel tempering]], and [[VCAIMAGES\|thermodynamic integration]]. Tags placed inside an <code>IMAGE_1 { ... }</code> block override the values from the general {{FILE\|INCAR}} tags defined outside the image block, which are defaulted to when a tag is not defined in an image block. Omitting an image block means simply that that image ''N'' uses the general settings.

Csheldon at 15:16, 19 June 2026

2026-06-19T15:16:39Z

← Older revision		Revision as of 15:16, 19 June 2026
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	{{DISPLAYTITLE:IMAGE_1}}		{{DISPLAYTITLE:IMAGE_1}}
	{{TAGDEF\|IMAGE_1\|''block construct~~, no value''~~\|~~(none - grouping syntax)~~}}		{{TAGDEF\|IMAGE_1\|block construct\|None}}

	Description: The {{TAG\|IMAGE_1}} is a grouping construct, allowing {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]] to be defined.		Description: The {{TAG\|IMAGE_1}} is a grouping construct, allowing {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]] to be defined.

Csheldon at 10:18, 19 June 2026

2026-06-19T10:18:42Z

← Older revision		Revision as of 10:18, 19 June 2026
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	{{DISPLAYTITLE:IMAGE_1}}		{{DISPLAYTITLE:IMAGE_1}}
	{{TAGDEF\|IMAGE_1}}		{{TAGDEF\|IMAGE_1\|''block construct, no value''\|(none - grouping syntax)}}

	Description: The {{TAG\|IMAGE_1}} ~~allows defining the~~ {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]].		Description: The {{TAG\|IMAGE_1}} is a grouping construct, allowing {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]] to be defined.
	----		----
	{{TAG\|IMAGE_1}} ~~can define~~ the {{FILE\|INCAR}} settings used for a calculation in an image calculation, e.g., <code>01</code> for [[Nudged elastic bands\|nudged elastic band]] calculations, [[LTEMPER\|parallel tempering]], and [[VCAIMAGES\|thermodynamic integration]]. ~~Simply change the~~ <code>_1</code> in {{~~TAG~~\|~~IMAGE_1~~}} to ~~<code>_2</code>, <code>_3</code>, etc for~~ the ~~other images (e.g~~.~~, <code>02</code>, <code>03</code>, etc):~~		{{TAG\|IMAGE_1}} defines the {{FILE\|INCAR}} settings used for a calculation in an image calculation, e.g., <code>01</code> for [[Nudged elastic bands\|nudged elastic band]] calculations, [[LTEMPER\|parallel tempering]], and [[VCAIMAGES\|thermodynamic integration]]. Tags placed inside an <code>IMAGE_1 { ... }</code> block override the values from the general {{FILE\|INCAR}} tags defined outside the image block, which are defaulted to when a tag is not defined in an image block. Omitting an image block means simply that that image ''N'' uses the general settings.

			== Syntax ==
			# General INCAR tags
			{{TAGBL\|EDIFF}} = 1E-5 # General setting
	{{TAGBL\|IMAGE_1}} {		{{TAGBL\|IMAGE_1}} {
	#Image 1 INCAR tags		# Image 1 INCAR tags
			{{TAGBL\|EDIFF}} = 1E-6 # Specific for image 1
	}		}

	{{TAGBL\|IMAGE_2}} {		{{TAGBL\|IMAGE_2}} {
	#Image 2 INCAR tags		# Image 2 INCAR tags
			{{TAGBL\|EDIFF}} = 1E-7 # Specific for image 2
	}		}
	...		...

			Replace <code>_1</code>, <code>_2</code>, ... with the desired image index (the same index VASP uses for the per-image subdirectories <code>01</code>, <code>02</code>, ...). The number of usable indices is bounded by {{TAG\|IMAGES}}.

	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|IMAGES}}, {{TAG\|NCORE_IN_IMAGE1~~}}, {{TAG\|SCALEE~~}}, {{TAG\|IMAGES}}, {{TAG\|VCAIMAGES}}		{{TAG\|IMAGES}}, {{TAG\|NCORE_IN_IMAGE1}}, {{TAG\|IMAGES}}, {{TAG\|VCAIMAGES}}

	== References ==		== References ==
	[[Category:INCAR tag]][[Category:Advanced molecular-dynamics sampling]]		[[Category:INCAR tag]][[Category:Advanced molecular-dynamics sampling]]

Csheldon at 10:00, 19 June 2026

2026-06-19T10:00:16Z

← Older revision		Revision as of 10:00, 19 June 2026
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	{{DISPLAYTITLE:IMAGE_1}}		{{DISPLAYTITLE:IMAGE_1}}
			{{TAGDEF\|IMAGE_1}}

	Description: The {{TAG\|IMAGE_1}} allows defining the {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]].		Description: The {{TAG\|IMAGE_1}} allows defining the {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]].
	----		----

Csheldon at 09:56, 19 June 2026

2026-06-19T09:56:08Z

← Older revision		Revision as of 09:56, 19 June 2026
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	{{DISPLAYTITLE:IMAGE_1}}		{{DISPLAYTITLE:IMAGE_1}}

	Description: The {{TAG\|IMAGE_1}} allows defining the {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]].		Description: The {{TAG\|IMAGE_1}} allows defining the {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]].
	----		----

Csheldon: Removed redirect to IMAGE N

2026-06-19T09:55:59Z

Removed redirect to IMAGE N

← Older revision		Revision as of 09:55, 19 June 2026
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	#~~REDIRECT~~ [[~~IMAGE N~~]]		{{DISPLAYTITLE:IMAGE_1}}

			Description: The {{TAG\|IMAGE_1}} allows defining the {{FILE\|INCAR}} settings for calculations using [[IMAGES \| images]].
			----
			{{TAG\|IMAGE_1}} can define the {{FILE\|INCAR}} settings used for a calculation in an image calculation, e.g., <code>01</code> for [[Nudged elastic bands\|nudged elastic band]] calculations, [[LTEMPER\|parallel tempering]], and [[VCAIMAGES\|thermodynamic integration]]. Simply change the <code>_1</code> in {{TAG\|IMAGE_1}} to <code>_2</code>, <code>_3</code>, etc for the other images (e.g., <code>02</code>, <code>03</code>, etc):

			{{TAGBL\|IMAGE_1}} {
			#Image 1 INCAR tags
			}

			{{TAGBL\|IMAGE_2}} {
			#Image 2 INCAR tags
			}
			...

			== Related tags and articles ==
			{{TAG\|IMAGES}}, {{TAG\|NCORE_IN_IMAGE1}}, {{TAG\|SCALEE}}, {{TAG\|IMAGES}}, {{TAG\|VCAIMAGES}}

			== References ==
			[[Category:INCAR tag]][[Category:Advanced molecular-dynamics sampling]]

Csheldon: Changed redirect target from Construction:IMAGE N to IMAGE N

2026-03-20T15:06:18Z

Changed redirect target from Construction:IMAGE N to IMAGE N

← Older revision		Revision as of 15:06, 20 March 2026
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	#REDIRECT [[~~Construction:~~IMAGE N]]		#REDIRECT [[IMAGE N]]

Csheldon: Csheldon moved page IMAGE 1 to Construction:IMAGE N

2026-03-20T13:04:01Z

Csheldon moved page IMAGE 1 to Construction:IMAGE N

New page

#REDIRECT [[Construction:IMAGE N]]