<P>Dear:<BR>i can't meet the clear place in Mo2C.inst while calculating using the software wien2k_05. the detailed information is as follows:<BR>Mo2C.inst<BR>Mo<BR><FONT color=#3300cc>Kr 3 5 (which meaning are 3 and 5 representative for among them,respectively) <BR></FONT>4, 2,2.0 N<BR>4, 2,1.0 N<BR>4,-3,1.0 N<BR>4,-3,0.0 N<BR>5,-1,1.0 N<BR>5,-1,0.0 N<BR>Mo<BR>Kr 3 5<BR>4, 2,2.0 N<BR>4, 2,1.0 N<BR>4,-3,1.0 N<BR>4,-3,0.0 N<BR>5,-1,1.0 N<BR>5,-1,0.0 N<BR>C<BR>He 3 5<BR>2,-1,1.0 N<BR>2,-1,1.0 N<BR>2, 1,1.0 N<BR>2, 1,0.0 N<BR>2,-2,1.0 N<BR>2,-2,0.0 N<BR>****End of Input</P>
<P>please give me a hand. thank you very much</P>
<P>lisa<BR><!-- footer --><BR><BR><BR><BR><BR></P>
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