LU failed in BW-MRCC for 4 roots and 4 references
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Forum Vet
6:54:05 AM PDT - Fri, Oct 23rd 2015
When NWChem6.6 is used, the same error appears at the 45th step; and I also add an a" into the targetsym, whether which I don't know is the cause of the above difference from the NWchem6.5 result.