pcm_potential_oct_m Module Reference

Functions/Subroutines
subroutine, public	pcm_hartree_potential (pcm, space, mesh, psolver, ext_partners, vhartree, density, pcm_corr, kick, time)
	PCM reaction field due to the electronic density. More...

Function/Subroutine Documentation

pcm_hartree_potential()

subroutine, public pcm_potential_oct_m::pcm_hartree_potential	(	type(pcm_t), intent(inout)	pcm,
		class(space_t), intent(in)	space,
		class(mesh_t), intent(in)	mesh,
		type(poisson_t), intent(inout)	psolver,
		type(partner_list_t), intent(in)	ext_partners,
		real(real64), dimension(:), intent(in)	vhartree,
		real(real64), dimension(:), intent(in)	density,
		real(real64), intent(out)	pcm_corr,
		type(kick_t), intent(in), optional	kick,
		real(real64), intent(in), optional	time
	)

PCM reaction field due to the electronic density.

Generates the real-space PCM potential due to electrons during the SCF calculation.

Local field effects due to the applied electrostatic potential representing the laser and the kick (if they were). For the laser, the latter is only valid in the long-wavelength limit. Static potentials are included in subroutine hamiltonian_elec_epot_generate (module hamiltonian). The sign convention for typical potentials and kick are different...

Definition at line 160 of file pcm_potential.F90.