IMAGE 1: Difference between revisions
Changed redirect target from Construction:IMAGE N to IMAGE N Tag: Redirect target changed |
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# | {{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]] | |||
Revision as of 09:55, 19 June 2026
Description: The IMAGE_1 allows defining the INCAR settings for calculations using images.
IMAGE_1 can define the INCAR settings used for a calculation in an image calculation, e.g., 01 for nudged elastic band calculations, parallel tempering, and thermodynamic integration. Simply change the _1 in IMAGE_1 to _2, _3, etc for the other images (e.g., 02, 03, etc):
IMAGE_1 { #Image 1 INCAR tags } IMAGE_2 { #Image 2 INCAR tags } ...
Related tags and articles
IMAGES, NCORE_IN_IMAGE1, SCALEE, IMAGES, VCAIMAGES