From owner-chemistry@ccl.net Tue Sep 29 07:48:00 2015 From: "Hassan Harb hsn.harb^-^gmail.com" To: CCL Subject: CCL: Functions for lanthanides Message-Id: <-51788-150929005043-11316-zudBhsUCkaPjx56trKMNRg#%#server.ccl.net> X-Original-From: "Hassan Harb" Date: Tue, 29 Sep 2015 00:50:42 -0400 Sent to CCL by: "Hassan Harb" [hsn.harb/a\gmail.com] Hello all, I want to run calculations for geometry optimizations on certain lanthanide oxides, but I do not know what functions to use and how to impose relativistic calculations on the core electrons of the lanthanides.