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: real = 1.58753163E-002 [angstrom]

Usage: EPS_DIST 0.1

Threshold where molecule and image molecule have to coincide. [Edit on GitHub]

PRINT_IC_LIST: logical = F 

Lone keyword: T

Usage: PRINT_IC_VALUES

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]