Subject: Re:G98 QCISD/MP4 calculations

From: "Olga Dmitrenko" <odmitr=at=UDel.Edu>
Date: Sun, 23 Nov 2003 14:20:15 -0500

Dear Jim,

We've had similar problems before with G2 calculations, in particular with
QCISD and MP2/6-311+G(3df,2p) steps. Sometimes I had to do stepwise
calculations and using G2
formulas from the original papers to calculate G2 energies and enthalpies.

What was helpful, we used maxdisk=1250 000 000 and large memory (%mem=1000MB
- you have it).
With best regards,
Olga

* Dr. Olga Dmitrenko
* Department of Chemistry and Biochemistry
* University of Delaware, Newark
* Delaware 19716, USA
*Tel: (302) 831-0887
* Email: odmitr=at=udel.edu