electronic coupling from CDFT

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Forum Vet

5:40:30 PM PDT - Tue, Oct 30th 2012

The error message is correct. This has only been implemented for Hartree-Fock.

Bert

[QUOTE=Tiechong Oct 30th 10:10 pm]Dear Bert, I'm using NWChem 5.1.1, below is the full error message

Electron Transfer for DFT has not been implemented. NWChem will skip this task!.

hf et failed                                                                         

 current input line : 

   51: task hf et[/quote]