[molpro-user] Failure of analying the compositions of BEs in DFT-SAPT

[wu150677 at yahoo.com]

Dear mailing list,I'm analyzing the compositions of BEs using DFT-SAPT by the Molpro package,,but my efforts failed.，I can't always obtain the HOMO energy about Ne and Ar that is same as the example from  35.7.2,manu .I want to know your method.And could you give  me the outfile about the example from 35.7.2,manu.Best wishes.Wu Tian.


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