Local ECP potential is zero and ignored


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Forum Vet
9:17:45 AM PDT - Wed, Aug 21st 2019
Please have a look at the ECP documentation at
https://github.com/nwchemgit/nwchem/wiki/ECP

Various ECPs without a local function are available, including those of the Stuttgart group. For those, no "ul" part needs to be defined. To define the absence of the local potential, simply specify one contraction with a zero coefficient:

     ul
    2     1.00000     0.00000