Diffuse Basis set error

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Forum Vet

7:18:09 PM PDT - Tue, Mar 24th 2015
"aug-cc-pVDZ-DK Diffuse" is not a full basis set, but just a set of diffuse basis functions. You might want to try the following basis * library aug-cc-pVDZ-DK * library "aug-cc-pVDZ-DK Diffuse" end