How to do Mulliken Population Analysis with MP2?


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Forum Vet
3:26:52 PM PDT - Mon, Apr 23rd 2018
https://github.com/nwchemgit/nwchem/wiki/MP2#one-electron-properties-and-natural-orbitals


mp2
  freeze atomic
end

task mp2 gradient

property
  vectors  h2o.mp2nos
  mulliken
end

task mp2 property