Inline specification of basis set


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Forum Vet
11:09:31 AM PDT - Wed, May 11th 2016
ecp input section
Do you have an ecp section in your input file?
For example:
ecp
U Library "Stuttgart RSC 1997 ECP"
I Library "Stuttgart RLC ECP"
end


https://nwchemgit.github.io/index.php/Release66:ECP