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<DIV><FONT face=Arial size=2>Hi,</FONT></DIV>
<DIV><FONT face=Arial size=2>with the code below, the UCCSD calcualtion
annonunces, after 7 iterations:</FONT></DIV>
<DIV><FONT face=Arial size=2>UNREASONABLE NORM. CALCULATION STOPPED
</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=Arial size=2>What does it mean? What is the likely reason for
that?</FONT></DIV>
<DIV><FONT face=Arial size=2>The actual norm printed in the 7th iteration is
3.38.</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=Arial size=2>The program then exits with "ERROR EXIT" and
</FONT></DIV>
<DIV><FONT face=Arial size=2>"Command exited with non-zero status
2".</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=Arial size=2>Any help would be much appreciated.
Thanks!</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Shai Ronen</FONT></DIV>
<DIV><FONT face=Arial
size=2>--------------------------------------------------------------------------</FONT></DIV>
<DIV><FONT face=Arial size=2>memory,40,m<BR>gprint,orbitals;</FONT></DIV>
<DIV><FONT face=Arial size=2>geometry={<BR>V1;
V2,V1,r1;V3,V1,r1,V2,a<BR>}</FONT></DIV>
<DIV><FONT face=Arial size=2>r1=2.169
ANG<BR>a=59.0<BR> </FONT></DIV>
<DIV><FONT face=Arial
size=2>basis={...}<BR>rhf;<BR>wf,69,4,1;<BR>uhf;<BR>uccsd;<BR></FONT></DIV>
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