The UNREASONABLE NORM message is trapping the fact that the preceding Hartree-Fock has failed to converge. The SCF program has difficulty probably because the basis set is so imbalanced in favour of nitrogen. Peter
At Fri, 20 Jun 2003 15:58:45 -0600, qwen wrote: > > [1 <text/plain; ISO-8859-1 (7bit)>] > Hi, > I tried to run Xe-N2 calculation with molpro2002, but it immediately stopped > with the following error: > UNREASONABLE NORM. CALCULATION STOPPED > > Can you help me to figure out the problem? The output file are attached. > Thanks a lot. > > Qing Wen > [2 test3.out <application/octet-stream (base64)>] > -- Prof. Peter J. Knowles Email [EMAIL PROTECTED] Phone +44-121-414-7472 Fax +44-121-414-7471 School of Chemical Sciences, University of Birmingham, Birmingham, B15 2TT, UK WWW http://www.tc.bham.ac.uk/~peterk/
