CCL: GAMESS: problem with G3 calc on calcium



 Sent to CCL by: "Victor M. Rosas-Garcia" [vrosas[]fcq.uanl.mx]
 Hello everybody,
 I tried to run a G3MP2 calculation on calcium carbonate (using GAMESS-US), and
 the job finished with the following error message:
 NO SO COUPLING DATA FOR ATOM #6
 where atom #6 is calcium.  I believe the "SO" refers to some
 spin-orbit constant that GAMESS is missing.  Are there any suggestions on how to
 fix this?
 Thanx
 Prof. Victor M. Rosas-Garcia
 School of Chemical Sciences          tel: 52-81-8329-4010 ext. 6253
 Autonomous University of Nuevo Leon  e-mail: vrosas##fcq.uanl.mx
 San Nicolas de los Garza, NL
 Mexico