... kinetic¹

$E_{\mathrm{KIONS}} = E_{\mathrm{CLASSIC}} - E_{\mathrm{KS}}$ , in order to get this value one should subtract column 4 from column 5 of the ENERGIES output file.

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... symmetries²

except for isolated systems, SYMMETRYSYMMETRY 0, where only the NMR part is adapted to.

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... parts³

The reader might wonder whether Einstein summations over repeated indices like $\alpha$ and $R$ are done or not. The answer is that it depends. If only one atom is displaced along one of the axes, there is no summation needed. The generalization to a simultaneous displacement of all atoms in arbitrary directions is trivially done by assuming the summation over $\alpha$ and $R$ .

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... ion/direction⁴

In contrast to this, the VIBRATIONAL ANALYSISVIBRATIONAL ANALYSIS displaces each atom in each direction first by +0.01 and then by -0.01.

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