Hi Q-Chem Forum,
I want to optimise a set of structures in the presence of an electric field to study the properties. I would like to apply the field along the y direction only and the field should have a values of -1 v/nm. Is anyone able to help me with this?
Thanks!
Please see the $multipole_field section in the manual.
the manual says:
$multipole_field
field_component_1 value_1
field_component_2 value_2
$end
will this change to:
field_component_Z value_10 (if I want to apply a field of 10 aU)?
the field_component_N values are something like x, y, or z (for dipole), xx, xy, xz, … (for quadrupole), etc., then value_N is the corresponding numerical value.