sternheimer.F90 File Reference

Go to the source code of this file.

Modules
module	sternheimer_oct_m

Data Types
type	sternheimer_oct_m::sternheimer_t

Functions/Subroutines
subroutine, public	sternheimer_oct_m::sternheimer_init (this, namespace, space, gr, st, hm, xc, mc, wfs_are_cplx, set_ham_var, set_occ_response, set_last_occ_response, occ_response_by_sternheimer)
subroutine, public	sternheimer_oct_m::sternheimer_end (this)
subroutine	sternheimer_oct_m::sternheimer_build_fxc (this, namespace, mesh, st, xc)
subroutine, public	sternheimer_oct_m::sternheimer_build_kxc (this, namespace, mesh, st, xc)
subroutine, public	sternheimer_oct_m::sternheimer_unset_kxc (this)
logical function, public	sternheimer_oct_m::sternheimer_add_fxc (this)
logical function, public	sternheimer_oct_m::sternheimer_add_hartree (this)
logical function, public	sternheimer_oct_m::sternheimer_has_converged (this)
logical pure function, public	sternheimer_oct_m::sternheimer_have_rhs (this)
subroutine, public	sternheimer_oct_m::sternheimer_unset_rhs (this)
logical pure function, public	sternheimer_oct_m::sternheimer_have_inhomog (this)
subroutine, public	sternheimer_oct_m::sternheimer_unset_inhomog (this)
integer pure function, public	sternheimer_oct_m::swap_sigma (sigma)
character(len=100) function, public	sternheimer_oct_m::wfs_tag_sigma (namespace, base_name, isigma)
subroutine, public	sternheimer_oct_m::sternheimer_obsolete_variables (namespace, old_prefix, new_prefix)
subroutine	sternheimer_oct_m::calc_hvar_photons (this, mesh, nspin, lr_rho, nsigma, hvar, idir)
subroutine, public	sternheimer_oct_m::zsternheimer_solve (this, namespace, space, gr, kpoints, st, hm, mc, lr, nsigma, omega, perturbation, restart, rho_tag, wfs_tag, idir, have_restart_rho, have_exact_freq)
	This routine calculates the first-order variations of the wavefunctions for an applied perturbation. More...
subroutine	sternheimer_oct_m::zsternheimer_add_occ (namespace, mesh, st, lr_psi, rhs, sst, est, ik, omega_sigma, degen_thres)
	add projection onto occupied states, by sum over states More...
subroutine, public	sternheimer_oct_m::zsternheimer_calc_hvar (this, namespace, mesh, hm, lr, nsigma, hvar, idir)
subroutine, public	sternheimer_oct_m::zcalc_hvar (namespace, add_hartree, mesh, hm, lrc_alpha, lr_rho, nsigma, hvar, fxc)
subroutine, public	sternheimer_oct_m::zcalc_kvar (this, mesh, st, lr_rho1, lr_rho2, nsigma, kvar)
subroutine, public	sternheimer_oct_m::zsternheimer_set_rhs (this, rhs)
subroutine, public	sternheimer_oct_m::zsternheimer_set_inhomog (this, inhomog)
subroutine, public	sternheimer_oct_m::zsternheimer_solve_order2 (sh1, sh2, sh_2ndorder, namespace, space, gr, kpoints, st, hm, mc, lr1, lr2, nsigma, omega1, omega2, pert1, pert2, lr_2ndorder, pert_2ndorder, restart, rho_tag, wfs_tag, have_restart_rho, have_exact_freq, give_pert1psi2, give_dl_eig1)
subroutine, public	sternheimer_oct_m::dsternheimer_solve (this, namespace, space, gr, kpoints, st, hm, mc, lr, nsigma, omega, perturbation, restart, rho_tag, wfs_tag, idir, have_restart_rho, have_exact_freq)
	This routine calculates the first-order variations of the wavefunctions for an applied perturbation. More...
subroutine	sternheimer_oct_m::dsternheimer_add_occ (namespace, mesh, st, lr_psi, rhs, sst, est, ik, omega_sigma, degen_thres)
	add projection onto occupied states, by sum over states More...
subroutine, public	sternheimer_oct_m::dsternheimer_calc_hvar (this, namespace, mesh, hm, lr, nsigma, hvar, idir)
subroutine, public	sternheimer_oct_m::dcalc_hvar (namespace, add_hartree, mesh, hm, lrc_alpha, lr_rho, nsigma, hvar, fxc)
subroutine, public	sternheimer_oct_m::dcalc_kvar (this, mesh, st, lr_rho1, lr_rho2, nsigma, kvar)
subroutine, public	sternheimer_oct_m::dsternheimer_set_rhs (this, rhs)
subroutine, public	sternheimer_oct_m::dsternheimer_set_inhomog (this, inhomog)
subroutine, public	sternheimer_oct_m::dsternheimer_solve_order2 (sh1, sh2, sh_2ndorder, namespace, space, gr, kpoints, st, hm, mc, lr1, lr2, nsigma, omega1, omega2, pert1, pert2, lr_2ndorder, pert_2ndorder, restart, rho_tag, wfs_tag, have_restart_rho, have_exact_freq, give_pert1psi2, give_dl_eig1)

Variables
character(len= *), parameter, public	sternheimer_oct_m::em_resp_photons_dir = "em_resp_photons/"