scf: no. of closed-shell electrons is not even!

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  • Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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7:50:58 AM PST - Mon, Nov 21st 2011
Hi,

Can you post or send us your input file ?

Thanks.

Best,
-Niri

Niri Govind
niri.govind@pnnl.gov


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