!! This program is free software; you can redistribute it and/or modify !! it under the terms of the GNU General Public License as published by !! the Free Software Foundation; either version 2, or (at your option) !! any later version. !! !! This program is distributed in the hope that it will be useful, !! but WITHOUT ANY WARRANTY; without even the implied warranty of !! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the !! GNU General Public License for more details. !! !! You should have received a copy of the GNU General Public License !! along with this program; if not, write to the Free Software !! Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA !/*!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! SUBROUTINE INTERACTION_POT ! ========================== ! ! INPUT: ! rho [real(8), dimension(n, n)] : electronic density. ! --------- ! OUTPUT: ! vx [real(8), dimension(n, n)] : Hartree potential. ! vx [real(8), dimension(n, n)] : exchange-energy potential. ! vc [real(8), dimension(n, n)] : correlation-energy potential. ! ex [real(8)] : exchange energy. ! ec [real(8)] : correlation energy. ! ! Given an input density, this subroutine must provide the Hartree, exchange ! and correlation potential, as well as the exchange energy and potential. ! For that purpose, it must call "poisson_solve" and "vxc_lda" ! ! It is useful if the code is built in such a way that is easy to choose ! between full use of LDA, use of LDA for exchange only (null correlation), ! use only of the Hartree term (exchange and correlation are null), and ! the independent particle approximation (everything is null). !*/!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! subroutine interaction_pot(rho, vh, vx, vc, ex, ec) use mesh use poisson implicit none real(8), intent(in) :: rho(n, n) real(8), intent(out) :: vh(n, n), vx(n, n), vc(n, n), ex, ec !!!!!! MISSING CODE 2 !!!!!! END OF MISSING CODE end subroutine interaction_pot