ATOM_PARAMETER

Section can be repeated.

Section used to specify a atom parameter set for xTB calclulations. [Edit on GitHub]

Keywords

DEFAULT_KEYWORD: string

Keyword can be repeated.

xTB atom parameters in standard format:

Element symbol  eta  gamma alpha Zeff label kpoly kappa Hen zeta
nshell repeat the following block of lines)
label kpoly kappa Hen zeta