Re: CCL:symmetry change
Hi,
In G98W A.7 (SCAN job changing Cs to C2v to Cs for H2O):
IOP(2/16=3) -> crashes on "Operation on file out of range."
IOP(2/16=2) -> crashes on "Error in generated initial guess."
IOP(2/16=1) -> crashes on "Operation on file out of range."
In G98 A.7 (SCAN job changing Cs to C2v to Cs for H2O):
IOP(2/16=3) -> crashes on "Operation on file out of range."
IOP(2/16=2) -> crashes on "Error in generated initial guess."
IOP(2/16=1) -> crashes on "Operation on file out of range."
It does not appear to matter with rev A.7 whether you employ the windows
version or the linux version of G98, the generated errors are identical. I
guess we're stuck with the nosymm option...
Respectfully,
Phillip Matz
matz ( ( at ) ) wsunix.wsu.edu
----- Original Message -----
From: "Bernd Schubert" <bernd.schubert ( ( at ) )
student.uni-halle.de>
To: "Chemistry" <Chemistry ( ( at ) ) ccl.net>
Sent: Wednesday, April 04, 2001 2:43 PM
Subject: CCL:symmetry change
> On Wednesday 04 April 2001 20:32, you wrote:
> > I have not been able to get this IOP to work in G98W. Gaussian is
> > aware of the error; I have sent them a simple input file that fails.
> > No response yet...
> >
> > Roy Jensen
>
> All my tryings to get IOP(2/16=3) working in G98A3 (on Linux and Irix
> machines) failed, too. Instead of the complainment about changed symmetry
it
> complained about a file input/output error (missing file).
> I haven't already tried with G98A7 or newer, so I would be interested if
some
> already had success to use this keyword.
>
> Bernd
>
>
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