From: Karol L. <kar...@kn...> - 2007-11-05 22:36:09
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I want to raise a consistency issue, Most energy-related attributes are parsed in eV (scfenergies, mpenergies, etc.). The numbers in scftargets and scfvalues, however, are parsed without conversion. Is this intentional or unnoticed? Cheers, Karol -- written by Karol Langner Mon Nov 5 23:21:14 EST 2007 |