Wrong parameters for the 4f elements
mretegan opened this issue · 1 comments
mretegan commented
The truncated output from Cowan's RCN for Eu 4f7 electronic configuration:
ETOT= -21658.42787 -21658.42787 -21663.30022 -21663.30022 -21663.10600 -21663.10600 -21663.10600
4f7 5 -21663.1060 0 12.9967 1 8.1069 1 5.8191 1 0.1604 2
0 T(RUN)= 0.00, T(JOB)= 0.00 SECONDS
Currently in Crispy: F2(4f,4f) = 8.721 compared to 12.9967 from above. The 5f elements are not affected.