COSMO and UHF?


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Forum Regular
6:18:38 PM PDT - Thu, May 23rd 2013
The following dft block should do the trick:

   dft

      mult 2

      xc hfexch

   end

   task dft

I.e. you should run the regular DFT implementation (not cgmin), select a non-singlet spin so that the UKS formalism is used, but select pure Hartree-Fock exchange as the functional.