Some energy difference between two input.

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Forum Vet

6:03:29 PM PDT - Wed, Oct 18th 2017
Thanks for the bug report. A fix is now available in the svn repository and it will be distributed as part of the upcoming 6.8 release. As a temporary work-around, please add the following lines before the second task line set dft:ipol 1 set dft:scftype RHF