The local part of the GTH pseudopotential contains the long-ranged portion of Coulomb interaction from the ions. But in the build_kohn_sham_matrix subroutine, the Coulomb interaction from the ions are handled together with the Coulomb interaction from the electrons when solving the poisson equation to get the hartree potential. Does this mean that the Coulomb interaction is removed from the vppl_rspace variable, which is the real space part of the local pseudo potential from ions? -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/82342bcf-e62c-4332-bb2e-e9be9883ecd1n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/82342bcf-e62c-4332-bb2e-e9be9883ecd1n%40googlegroups.com</a>.