[Wien] [SPAM?] Fw: please give me a hand

[韩旭泉]

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







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