spin-orbit & ECP

[Jussi Eloranta]

Dear netters,

I am working on molecule which has states that dissociate to excited
state Xe atoms + others. Thus I need to include spin-orbit effects
into the calculation. However, I am using Stuttgart ECP basis (RLC)
which means that I must enter the ECP spin-orbit data. I found one
example from manual (Br) but there was not much explanation on this
input. Can anyone provide more help on the subject?


Best regards, 


Jussi Eloranta
University of Jyvaskyla
Finland

ps. The ECP part for this basis is:

ECP,XE,46,5;
1; ! H POTENTIAL
2, 1.00000000,.000000000;
2; ! S-H POTENTIAL
2, 3.94026300,122.763829;
2, 2.27726400,8.30885115;
2; ! P-H POTENTIAL
2, 3.02837300,68.8230044;
2, 1.39431900,3.64674223;
2; ! D-H POTENTIAL
2, 2.12260500,23.6520785;
2,0.798669000,3.25844113;
2; ! F-H POTENTIAL
2, 6.16436000,-47.703199;
2, 1.54237400,-6.5411399;
1; ! G-H POTENTIAL
2, 1.84789200,-7.1058506;