Subject: rwf and diskspace: an example

From: elewars <[email-masked]>
Date: Fri, 30 Mar 2001 16:34:20 -0500

There has recently been some interest in how to use the rwf option in
Gaussian to expand diskspace. For G98W on a Pentium 3 or 4 with Windows
NT this works, making about 15 GB of scratch space available. I think
this is about the limit for this hardware/operatng system.

E. Lewars
===

%Mem=100000000
%rwf=a,240mw,b,240mw,c,240mw,d,240mw,e,240mw,f,240mw,g,240mw,h,-1
#  MP2/6-31G(df,p)  Opt(ts, NoEigenTest, CalcFC)  Maxdisk=15360MB

TS (Cs) for extrusion of oxirene from Barrelene oxide.
 Input HF/3-21G

 0 1
 1  -2.225303164  -1.234616297  -0.370881797
 6  -1.424707047  -0.678859001   0.071526421
 6  -1.424707047   0.678859001   0.071526421
 6  -0.259354622  -1.340462757   0.500421733
 1  -2.225303164   1.234616297  -0.370881797
 6  -0.259354622   1.340462757   0.500421733
 6   0.636609827  -0.675476925   1.383185491
 6   0.842365698  -0.651734023  -1.341593819
 6   0.842365698   0.651734023  -1.341593819
 6   0.636609827   0.675476925   1.383185491
 1   1.340820586  -1.243329937   1.958212821
 1   1.340820586   1.243329937   1.958212821
 1  -0.220194836   2.411187115   0.438222904
 1  -0.220194836  -2.411187115   0.438222904
 1   1.402466055  -1.530879903  -1.518286284
 8  -0.185405100   0.000000000  -2.241614833
 1   1.402466055   1.530879903  -1.518286284