Please try the following input changes (I am only showing the bottom part of the input file). Adoption of this huge radial grids has made all the negative frequencies disappear in my runs. Please let me know if you see the same
Example 1
set lindep:tol 1.0d-7
set int:txs:limxmem 28307786
set dft:diisreset 25
task dft optimize
dft
grid lebedev se 750 16 cd 250 16
end
task dft frequencies
Example 2
set lindep:tol 1.0d-7
set int:txs:limxmem 28307786
set dft:diisreset 25
dft
grid lebedev se 750 16
end
task dft optimize
task dft frequencies
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