<DIV>Dear Torsten,</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>Thank you for your response. I am using P4, Intel. I have tried to recompile optic with option -O0 as you suggested but I still have the problem of NAN in outmat.</DIV>
<DIV>What is worrisome is that it gives results for one compound and NAN for another .</DIV>
<DIV> </DIV>
<DIV>Your help will be appreciated.</DIV>
<DIV> </DIV>
<DIV>Emeka</DIV><BR><BR><P>Chukwuemeka M. I. Okoye,</P>
<P>Department of Physics and Astronomy,</P>
<P>University of Nigeria,Nsukka,</P>
<P>Enugu State,NIGERIA</P>
<P>234-042-771611</P><p><hr SIZE=1>
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