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IMAGE_1

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Revision as of 10:00, 19 June 2026 by Csheldon (talk | contribs)

IMAGE_1 

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

References