<div dir="ltr">That wouldn't seem to be the case, it now gives 16.7% of the correct HF exchange energy. The DFT XC energy is unaffected.<div><br></div><div><div>  Overlap energy of the core charge distribution:               0.00000000000000</div><div>  Self energy of the core charge distribution:               -148.47094303888323</div><div>  Core Hamiltonian energy:                                     -0.18026539801860</div><div>  Hartree energy:                                              14.53040907815531</div><div>  Exchange-correlation energy:                                 -4.05872942140104</div><div>  Hartree-Fock Exchange energy:                                -0.55962243700625</div><div>  Dispersion energy:                                            0.02879894951182</div><div><br></div><div>  GAPW| Exc from hard and soft atomic rho1:                    -6.39896663215167</div><div>  GAPW| local Eh = 1 center integrals:                         17.52403430840716</div><div><br></div><div>  Total energy:                                              -127.58528459138651</div><div><br></div><div>  outer SCF iter =    1 RMS gradient =   0.93E-08 energy =       -127.5852845914</div><div>  outer SCF loop converged in   1 iterations or  365 steps</div><div><br></div><div><br></div><div> ENERGY| Total FORCE_EVAL ( QS ) energy (a.u.):             -127.585284591386511</div></div></div>