EFIELD_IGNORE_MOL_MODES (.param)
Keyword type
String
Description
This keyword specifies how many of the lowest lying modes to ignore when computing the ionic contribution to the permittivity and polarizability. Available options are:
- Crystal - Ignore the three lowest lying modes
- Molecule - Ignore the six lowest lying modes
- Linear_molecule - Ignore the five lowest lying modes
Default
Crystal
Example
EFIELD_IGNORE_MOL_MODES : Molecule