(git:6a2e663)
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Routines to compute the Coulomb integral V_(alpha beta)(k) for a k-point k using lattice summation in real space. These integrals are e.g. needed in periodic RI for RPA, GW. More...
Functions/Subroutines | |
subroutine, public | build_2c_coulomb_matrix_kp (matrix_v_kp, kpoints, basis_type, cell, particle_set, qs_kind_set, atomic_kind_set, size_lattice_sum, operator_type, ikp_start, ikp_end) |
... More... | |
Routines to compute the Coulomb integral V_(alpha beta)(k) for a k-point k using lattice summation in real space. These integrals are e.g. needed in periodic RI for RPA, GW.
subroutine, public kpoint_coulomb_2c::build_2c_coulomb_matrix_kp | ( | type(dbcsr_p_type), dimension(:, :), pointer | matrix_v_kp, |
type(kpoint_type), pointer | kpoints, | ||
character(len=*), intent(in) | basis_type, | ||
type(cell_type), pointer | cell, | ||
type(particle_type), dimension(:), pointer | particle_set, | ||
type(qs_kind_type), dimension(:), pointer | qs_kind_set, | ||
type(atomic_kind_type), dimension(:), pointer | atomic_kind_set, | ||
integer | size_lattice_sum, | ||
integer | operator_type, | ||
integer | ikp_start, | ||
integer | ikp_end | ||
) |
...
matrix_v_kp | ... |
kpoints | ... |
basis_type | ... |
cell | ... |
particle_set | ... |
qs_kind_set | ... |
atomic_kind_set | ... |
size_lattice_sum | ... |
operator_type | ... |
ikp_start | ... |
ikp_end | ... |
Definition at line 67 of file kpoint_coulomb_2c.F.