Subject: GAUSSIAN 03. DFT models

From: iÿfffff1igo garcia yoldi <garciayoldi^at^yahoo.co.uk>
Date: Mon, 6 Dec 2004 16:24:06 +0000 (GMT)

Dear list.

At Gaussian 03 the DFT methods are defined by six
parameters that you can modify with the iop(5/45),
iop(5/46) and iop(5/47). In a DFT calculation their
values are 1.0, 0.2, 0.72, 0.8, 0.81 and 0.1.

Does anybody knows the values in PBEPBE and PW91PW91
calculation? I try to find them in the vectors ScaHFX
and ScaDFX but it does not appear.

Thanks a lot

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