convergence threshold affected by property calculation


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Forum Vet
Insert "task dft energy"
Chloe,
If you inser the line "task dft energy", the energy calculation will be run with the default convergence threshold for energy (or even looser, if you re-define them in the dft input field), e.g.

start hh

geometry
h 0. 0. 0.
h 0. 0. 1.
end
basis
* library sto-3g
end

Property ; Mulliken ; end
dft
convergence energy 1d-6
end

task dft energy

task dft property