Hi Edoapra,
I have tried this. It also raises error message:
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direct_mp2: scftype not RHF 911
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current input line :
35: task direct_mp2 energy
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There is an error in the input file
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For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentati
And if I use task mp2 energy , then it raises another error saying:
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bsse_energy: no geometry 0
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current input line :
36: task mp2 energy
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This error has not yet been assigned to a category
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Can I please get little support to resolve this issue.
Thank you.
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