<span dir="ltr"> In Cp2k, the energy of H2O(O 0 0 0, H 0.7 0.7 0,
      H -0.7 0.7 0) gives Total FORCE_EVAL ( QS ) energy [a.u.]: -17.162760473845406. However, general textbooks use -75.3125879121 hartree  presented. Where does the difference between these two figures come from?</span><br>

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