From NWChem
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| 7:13:08 AM PDT - Thu, May 3rd 2012 |
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| I want to know whether NWCHEM could carry out SCS-MP2? If it can carry out SCS-MP2, how to write the input file? Thanks!!
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Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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| 12:27:03 PM PDT - Thu, May 3rd 2012 |
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SCS-MP2 is not available. All components to calculate SCS are available but you would have to modify the code to make it work.
Bert
[QUOTE=Lmyiop May 3rd 2:13 pm]I want to know whether NWCHEM could carry out SCS-MP2? If it can carry out SCS-MP2, how to write the input file? Thanks!![/quote]
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