Is there a way to get Turbomole to output all the state-to-state Spin-Orbit Coupling constants when doing an X2C calculation in ESCF? I've tried using the proper program "proper -> mos -> socme", but I get the following error:
socme
SOCME elements may make sense with magnetic fields in soghf case
but the needed integrals are not yet available 
sorry, have to stop.
========================
internal module stack:
------------------------
proper
propmos
propsocme
========================
SOC element calculation not supported with soghf keyword
proper ended abnormally
proper ended abnormally
program stopped.I assume I'm either doing something wrong, or it's just not a feature of Turbomole yet. Does anyone know? It seems odd that it's not a feature as technically speaking Turbomole can calculate TDM vectors, which are SOC weighted sums of various ground state and excited state transitions.
