From: Karol L. <kar...@kn...> - 2007-01-24 14:45:16
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Dear all, I wanted to come back to the issue of units in the molecular energies parsed by cclib. Is there a reason why scfenergies are converted to eV from hartrees? Karol -- written by Karol Langner Wed Jan 24 15:41:19 CET 2007 |