IMAGE 1

IMAGE_1 = block construct
Default: IMAGE_1 = None 

Description: The IMAGE_1 is a grouping construct, allowing INCAR settings for calculations using images to be defined.

---

IMAGE_1 defines the INCAR settings used for a calculation in an image calculation, e.g., 01 for nudged elastic band calculations, parallel tempering, and thermodynamic integration. Tags placed inside an IMAGE_1 { ... } block override the values from the general 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
EDIFF = 1E-5 # General setting
IMAGE_1 {
# Image 1 INCAR tags
        EDIFF = 1E-6 # Specific for image 1
}

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

Replace _1, _2, ... with the desired image index (the same index VASP uses for the per-image subdirectories 01, 02, ...). The number of usable indices is bounded by IMAGES.

Related tags and articles

IMAGES, NCORE_IN_IMAGE1, IMAGES, VCAIMAGES