linear_response.F90 File Reference

Go to the source code of this file.

Modules
module	linear_response_oct_m

Data Types
type	linear_response_oct_m::lr_t

Functions/Subroutines
subroutine, public	linear_response_oct_m::lr_init (lr)
subroutine, public	linear_response_oct_m::lr_allocate (lr, st, mesh, allocate_rho)
subroutine, public	linear_response_oct_m::lr_zero (lr, st)
subroutine, public	linear_response_oct_m::lr_dealloc (lr)
subroutine, public	linear_response_oct_m::lr_copy (st, mesh, src, dest)
logical function, public	linear_response_oct_m::lr_is_allocated (this)
real(real64) function, public	linear_response_oct_m::lr_alpha_j (st, jst, ik)
subroutine, public	linear_response_oct_m::dlr_orth_vector (mesh, st, vec, ist, ik, omega, min_proj)
	Orthogonalizes a vector vec against all the occupied states. For details on the metallic part, take a look at de Gironcoli, PRB 51, 6773 (1995). More...
subroutine	linear_response_oct_m::dlr_build_orth_coeffs (st, ist, ik, omega, min_proj, theta, beta_ij)
	Builds the weights for the orthogonalization in dlr_orth_vector. More...
subroutine, public	linear_response_oct_m::dlr_build_dl_rho (mesh, st, lr, nsigma)
	Computes the variation of the density for the Sternheimer calculations This is given in Eq. 2 of Andrade et al. Phys. Chem. Chem. Phys. 17, 31371 (2015) More...
subroutine, public	linear_response_oct_m::dlr_orth_response (mesh, st, lr, omega)
subroutine, public	linear_response_oct_m::dlr_swap_sigma (st, mesh, plus, minus)
subroutine, public	linear_response_oct_m::dlr_dump_rho (lr, space, mesh, nspin, restart, rho_tag, ierr)
subroutine, public	linear_response_oct_m::dlr_load_rho (dl_rho, space, mesh, nspin, restart, rho_tag, ierr)
subroutine, public	linear_response_oct_m::zlr_orth_vector (mesh, st, vec, ist, ik, omega, min_proj)
	Orthogonalizes a vector vec against all the occupied states. For details on the metallic part, take a look at de Gironcoli, PRB 51, 6773 (1995). More...
subroutine	linear_response_oct_m::zlr_build_orth_coeffs (st, ist, ik, omega, min_proj, theta, beta_ij)
	Builds the weights for the orthogonalization in zlr_orth_vector. More...
subroutine, public	linear_response_oct_m::zlr_build_dl_rho (mesh, st, lr, nsigma)
	Computes the variation of the density for the Sternheimer calculations This is given in Eq. 2 of Andrade et al. Phys. Chem. Chem. Phys. 17, 31371 (2015) More...
subroutine, public	linear_response_oct_m::zlr_orth_response (mesh, st, lr, omega)
subroutine, public	linear_response_oct_m::zlr_swap_sigma (st, mesh, plus, minus)
subroutine, public	linear_response_oct_m::zlr_dump_rho (lr, space, mesh, nspin, restart, rho_tag, ierr)
subroutine, public	linear_response_oct_m::zlr_load_rho (dl_rho, space, mesh, nspin, restart, rho_tag, ierr)