Next: 42 ENERGY GRADIENTS Up: 41.6 Examples Previous: 41.6.1 SO calculation for

41.6.2 SO calculation for the I-atom using ECPs

Input: i_ecp.com

Output: i_ecp.out Input: i_ecp_cpp.com

Output: i_ecp_cpp.out


molpro@molpro.net
Oct 10, 2007