IC

Parameters influencing the image charge correction. The image plane is always an xy plane, so adjust the molecule according to that. [Edit on GitHub]

Keywords

• EPS_DIST

• PRINT_IC_LIST

Keyword descriptions

EPS_DIST

Type: real
Default: 1.58753163E-002 [angstrom]
Usage: EPS_DIST 0.1

Description: Threshold where molecule and image molecule have to coincide.

[Edit on GitHub]

PRINT_IC_LIST

Type: logical
Default: F
Lone keyword: T
Usage: PRINT_IC_LIST .TRUE.

Description: If true, the image charge correction values are printed in a list, such that it can be used as input for a subsequent evGW calculation.

[Edit on GitHub]