Hi All,
Is there any reason why rodft should not work with LRC functionals?
Here is the input which crushes (stops after invoking quadratic convergence)
The analogous input with b3lyp finishes without problems.
Perplexed,
Maria
start test_n2+
echo
title "N2+ 1.0977A B3LYP/6-31G** open-shell test"
charge 1
geometry
symmetry d2h
N 0.0 0.0 -0.54885
N 0.0 0.0 0.54885
end
basis
N library 6-31G**
end
dft
xc xcamb88 1.00 lyp 0.81 vwn_5 0.19 hfexch 1.00
cam 0.33 cam_alpha 0.19 cam_beta 0.81
direct
mult 2
rodft
cgmin
end
task dft
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