Dear molpro users<br>I was running a four state diabatization
calculation. The program ended up in error saying "ci has not
converged in maximum iterations". <br>It is found that 5th state also come
into play with the calculation although i dont want to do so. I have tried by setting nstati=10, but that doesnt work. <br>The output file is too long to fit in this mail and so i have attached it with this mail. Im a newbie. Can someone help me to solve it out..<br>
<br>Thanks<br clear="all"><br><div>Saheer.VC<br>Graduating Student,<br>c/o Prof.Sanjay Kumar,<br>Theoretical Chemistry Division,<br>Dept. of Chemistry,<br>Indian Institute of Technology Madras,<br>Chennai-600 036,<br>India.<br>
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