<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<HTML><HEAD>
<META http-equiv=Content-Type content="text/html; charset=iso-8859-2">
<META content="MSHTML 6.00.6000.16640" name=GENERATOR>
<STYLE></STYLE>
</HEAD>
<BODY bgColor=#ffffff>
<DIV><FONT face=Arial size=2>Hi,</FONT></DIV>
<DIV><FONT face=Arial size=2>im trying to optimize geometry trough
simple HF-SCF, but for some starting geometries (all of which are close
except one bond length) it fails with error complaining about large gradient
norm:</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2> Norm of gradient contribution is
huge!<BR> Probably due to wrong coordinates.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2> ERROR IN QEXIT: ACTIVE=^T CALLED
WITH</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2> GA ERROR fehler on processor
0</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Does anybody know, what exactly does this mean and
what could be wrong?</FONT></DIV>
<DIV><FONT face=Arial size=2>Thanks in advance</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Lukas Pasteka</DIV>
<DIV><BR></DIV></FONT></BODY></HTML>