Subject: .CHK file and g92, g94

From: <[email-masked]>
Date: Thu, 29 Aug 1996 17:50:50 +0200

hello,

Some weeks ago someone send a request about a problem in restarting an
optimization with g92(or g94). He (or She) wasn't abble to read the .CHK file.
I have had the same problem and then I want to give the solution.
It was an optimization and the program stopped before the first
HF calculation was converged. In this case, the geometry of the
molecule isn't saved in the .CHK file. So to restart the calculation
it is necessary to make an input file containing the
Z-Matrix of the first calculation and SCF=RESTART which use the 
 .CHK file information on the SCF.
The solution has been found by J.M Teuler (IDRIS, France) upon
my request. Thanks to him.
Perhaps the assistance of Gaussian could confirm this ??
So I hope this will be helpful to some of you.
Best wishes.

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¤  François HUTSCHKA                 Ph.D. Student in Quantum Chemistry     ¤
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