SOC

Is jet to be implemented [Edit on GitHub]

Keywords

• EPS_FILTER

• GRID

Keyword descriptions

EPS_FILTER: real = 1.00000000E-010

Aliases: EPS_FILTER_MATRIX

Usage: EPS_FILTER {real}

The threshold used for sparse matrix operations [Edit on GitHub]

GRID: string[3]

Keyword can be repeated.

Aliases: ATOMIC_GRID

Usage: GRID {string} {integer} {integer}

Specification of the atomic angular and radial grids for a atomic kind. This keyword must be repeated for all kinds! Usage: GRID < LEBEDEV_GRID > < RADIAL_GRID > [Edit on GitHub]