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more libxc qas [ci skip]
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34
QA/tests/libxc_li2freq/libxc_li2freq.nw
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34
QA/tests/libxc_li2freq/libxc_li2freq.nw
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echo
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start li2freq
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charge 0
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geometry
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li 0 0 0
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li 0 0 2.76296
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end
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basis "ao basis"
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* library "6-311+G*"
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end
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dft
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xc gga_x_mpw91
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grid fine
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convergence energy 1d-9
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end
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driver
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clear
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tight
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end
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task dft optimize
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dft;grid xfine;end
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task dft freq
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5524
QA/tests/libxc_li2freq/libxc_li2freq.out
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5524
QA/tests/libxc_li2freq/libxc_li2freq.out
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