JDFTx  1.2.1
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coulomb-truncation-ion-margin

Syntax:

coulomb-truncation-ion-margin <margin>

Description:

Extra margin (in bohrs) around the ions, when checking localization constraints for truncated Coulomb potentials (see command coulomb-interaction). Set to a typical distance from nuclei where the electron density becomes negligible, so as to ensure the electron density satisfies those localization constraints. (Default: 5 bohrs, minimum allowed: 1 bohr)

Properties:

Requires:     (None)

Forbids:     (None)

Allow multiple:    no

Default:     (None)

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