diff --git a/source/module_io/write_vxc.hpp b/source/module_io/write_vxc.hpp index 04925e02e3..2012f77742 100644 --- a/source/module_io/write_vxc.hpp +++ b/source/module_io/write_vxc.hpp @@ -284,10 +284,10 @@ void write_Vxc(const int nspin, vexxonly_op_ao.contributeHk(ik); std::vector vexx_k_mo = cVc(vexxonly_k_ao.get_hk(), &psi(ik, 0, 0), nbasis, nbands, *pv, p2d); e_orb_exx.emplace_back(orbital_energy(ik, nbands, vexx_k_mo, p2d)); + // ======test======= + // exx_energy += all_band_energy(ik, vexx_k_mo, p2d, wg); + // ======test======= } - // ======test======= - // exx_energy += all_band_energy(ik, vexx_k_mo, p2d, wg); - // ======test======= #endif if (PARAM.inp.dft_plus_u) {