CDFT: Unable to improve the multipliers 0


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Quote:Bbob79 Jan 19th 3:00 am
Edo,

Bob

Bob,

In the Edo's input, "odft" seems to be missing in CDFT of the C120.
Namely, I recommend you using
set geometry c120
dft
 cdft 1 60 charge -1
 vectors input fragment c60_a.mos c60_b.mos output c120.mos
 odft
 mult 2
 direct
end             

task dft ignore


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