CORE_FILL_KIND

Per-kind spread of the CORE_FILL Gaussian fill density. Each line contains a kind label (as defined in &KIND) and the spread in bohr. A spread <= 0 disables the fill for that kind. Kinds not listed use CORE_FILL_SPREAD, except kinds without removed core electrons (Z_val = Z) which are not filled. [Edit on GitHub]

Keywords

• DEFAULT_KEYWORD

Keyword descriptions

DEFAULT_KEYWORD

Type: string
Repeatable: yes
Usage: {kind label} {spread in bohr}

Description: Kind label and spread in bohr [Edit on GitHub]