DIELEC_EMB_FUNC_METHOD (.param)
Keyword type
String
Description
This keyword determines the type of dielectric function used in electrostatic embedding for implicit solvation model. The values supported are FG (Fattebert-Gygi for density-dependent dielectric) or UNIFORM (for vacuum).
Default
FG if TASK is set to AUTOSOLVATION
UNIFORM otherwise
Example
DIELEC_EMB_FUNC_METHOD : FG