sternheimer_oct_m Module Reference

Data Types
type	sternheimer_t

Functions/Subroutines
subroutine, public	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_end (this)
subroutine	sternheimer_build_fxc (this, namespace, gr, st, xc)
	Builds the exchange-correlation kernel \(f_{\rm xc}\) for computing the density response. More...
subroutine, public	sternheimer_build_kxc (this, namespace, mesh, st, xc)
subroutine, public	sternheimer_unset_kxc (this)
logical function, public	sternheimer_add_fxc (this)
logical function, public	sternheimer_add_hartree (this)
logical function, public	sternheimer_has_converged (this)
logical pure function, public	sternheimer_have_rhs (this)
subroutine, public	sternheimer_unset_rhs (this)
logical pure function, public	sternheimer_have_inhomog (this)
subroutine, public	sternheimer_unset_inhomog (this)
integer pure function, public	swap_sigma (sigma)
character(len=100) function, public	wfs_tag_sigma (namespace, base_name, isigma)
subroutine, public	sternheimer_obsolete_variables (namespace, old_prefix, new_prefix)
subroutine	calc_hvar_photons (this, mesh, nspin, lr_rho, nsigma, hvar, idir)
subroutine, public	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	zsternheimer_add_occ (namespace, mesh, st, lr_psi, rhs, sst, est, ik, omega, degen_thres)
	add projection onto occupied states, by sum over states More...
subroutine, public	zsternheimer_calc_hvar (this, namespace, mesh, hm, lr, nsigma, hvar, idir)
subroutine, public	zcalc_hvar (namespace, add_hartree, mesh, hm, lrc_alpha, lr_rho, nsigma, hvar, fxc)
	Computes the first-order variation of the Kohn-Sham Hamiltonian. More...
subroutine, public	zcalc_kvar (this, mesh, st, lr_rho1, lr_rho2, nsigma, kvar)
subroutine, public	zsternheimer_set_rhs (this, rhs)
subroutine, public	zsternheimer_set_inhomog (this, inhomog)
subroutine, public	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	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	dsternheimer_add_occ (namespace, mesh, st, lr_psi, rhs, sst, est, ik, omega, degen_thres)
	add projection onto occupied states, by sum over states More...
subroutine, public	dsternheimer_calc_hvar (this, namespace, mesh, hm, lr, nsigma, hvar, idir)
subroutine, public	dcalc_hvar (namespace, add_hartree, mesh, hm, lrc_alpha, lr_rho, nsigma, hvar, fxc)
	Computes the first-order variation of the Kohn-Sham Hamiltonian. More...
subroutine, public	dcalc_kvar (this, mesh, st, lr_rho1, lr_rho2, nsigma, kvar)
subroutine, public	dsternheimer_set_rhs (this, rhs)
subroutine, public	dsternheimer_set_inhomog (this, inhomog)
subroutine, public	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	em_resp_photons_dir = "em_resp_photons/"

Function/Subroutine Documentation

sternheimer_init()

subroutine, public sternheimer_oct_m::sternheimer_init	(	type(sternheimer_t), intent(out)	this,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(grid_t), intent(inout)	gr,
		type(states_elec_t), intent(in)	st,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(xc_t), intent(in)	xc,
		type(multicomm_t), intent(in)	mc,
		logical, intent(in)	wfs_are_cplx,
		integer, intent(in), optional	set_ham_var,
		logical, intent(in), optional	set_occ_response,
		logical, intent(in), optional	set_last_occ_response,
		logical, intent(in), optional	occ_response_by_sternheimer
	)

Definition at line 232 of file sternheimer.F90.

sternheimer_end()

subroutine, public sternheimer_oct_m::sternheimer_end

(

type(sternheimer_t), intent(inout)

this

)

Definition at line 400 of file sternheimer.F90.

sternheimer_build_fxc()

subroutine sternheimer_oct_m::sternheimer_build_fxc ( type(sternheimer_t), intent(inout)  this, type(namespace_t), intent(in)  namespace, type(grid_t), intent(in)  gr, type(states_elec_t), intent(in)  st, type(xc_t), intent(in)  xc  )

private

Builds the exchange-correlation kernel \(f_{\rm xc}\) for computing the density response.

Definition at line 421 of file sternheimer.F90.

sternheimer_build_kxc()

subroutine, public sternheimer_oct_m::sternheimer_build_kxc	(	type(sternheimer_t), intent(inout)	this,
		type(namespace_t), intent(in)	namespace,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		type(xc_t), intent(in)	xc
	)

Definition at line 443 of file sternheimer.F90.

sternheimer_unset_kxc()

subroutine, public sternheimer_oct_m::sternheimer_unset_kxc

(

type(sternheimer_t), intent(inout)

this

)

Definition at line 469 of file sternheimer.F90.

sternheimer_add_fxc()

logical function, public sternheimer_oct_m::sternheimer_add_fxc

(

type(sternheimer_t), intent(in)

this

)

Definition at line 480 of file sternheimer.F90.

sternheimer_add_hartree()

logical function, public sternheimer_oct_m::sternheimer_add_hartree

(

type(sternheimer_t), intent(in)

this

)

Definition at line 487 of file sternheimer.F90.

sternheimer_has_converged()

logical function, public sternheimer_oct_m::sternheimer_has_converged

(

type(sternheimer_t), intent(in)

this

)

Definition at line 494 of file sternheimer.F90.

sternheimer_have_rhs()

logical pure function, public sternheimer_oct_m::sternheimer_have_rhs

(

type(sternheimer_t), intent(in)

this

)

Definition at line 500 of file sternheimer.F90.

sternheimer_unset_rhs()

subroutine, public sternheimer_oct_m::sternheimer_unset_rhs

(

type(sternheimer_t), intent(inout)

this

)

Definition at line 506 of file sternheimer.F90.

sternheimer_have_inhomog()

logical pure function, public sternheimer_oct_m::sternheimer_have_inhomog

(

type(sternheimer_t), intent(in)

this

)

Definition at line 518 of file sternheimer.F90.

sternheimer_unset_inhomog()

subroutine, public sternheimer_oct_m::sternheimer_unset_inhomog

(

type(sternheimer_t), intent(inout)

this

)

Definition at line 524 of file sternheimer.F90.

swap_sigma()

integer pure function, public sternheimer_oct_m::swap_sigma

(

integer, intent(in)

sigma

)

Definition at line 536 of file sternheimer.F90.

wfs_tag_sigma()

character(len=100) function, public sternheimer_oct_m::wfs_tag_sigma	(	type(namespace_t), intent(in)	namespace,
		character(len=*), intent(in)	base_name,
		integer, intent(in)	isigma
	)

Definition at line 548 of file sternheimer.F90.

sternheimer_obsolete_variables()

subroutine, public sternheimer_oct_m::sternheimer_obsolete_variables	(	type(namespace_t), intent(in)	namespace,
		character(len=*), intent(in)	old_prefix,
		character(len=*), intent(in)	new_prefix
	)

Definition at line 575 of file sternheimer.F90.

calc_hvar_photons()

subroutine sternheimer_oct_m::calc_hvar_photons ( type(sternheimer_t), intent(inout)  this, class(mesh_t), intent(in)  mesh, integer, intent(in)  nspin, complex(real64), dimension(:,:), intent(in)  lr_rho, integer, intent(in)  nsigma, complex(real64), dimension(:,:,:), intent(inout)  hvar, integer, intent(in), optional  idir  )

private

Parameters

[in,out]

hvar

(1:meshnp, 1:stdnspin, 1:nsigma)

Definition at line 592 of file sternheimer.F90.

zsternheimer_solve()

subroutine, public sternheimer_oct_m::zsternheimer_solve	(	type(sternheimer_t), intent(inout)	this,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(grid_t), intent(in), target	gr,
		type(kpoints_t), intent(in)	kpoints,
		type(states_elec_t), intent(in)	st,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(multicomm_t), intent(in)	mc,
		type(lr_t), dimension(:), intent(inout)	lr,
		integer, intent(in)	nsigma,
		complex(real64), intent(in)	omega,
		class(perturbation_t), intent(in)	perturbation,
		type(restart_t), intent(inout)	restart,
		character(len=*), intent(in)	rho_tag,
		character(len=*), intent(in)	wfs_tag,
		integer, intent(in), optional	idir,
		logical, intent(in), optional	have_restart_rho,
		logical, intent(in), optional	have_exact_freq
	)

This routine calculates the first-order variations of the wavefunctions for an applied perturbation.

The perturbing Hamiltonian is usually given by

\[ \delta \hat{H}(\omega) =\delta \hat{v}(\boldsymbol{r}) +\int \mathrm{d} \boldsymbol{r}^{\prime} \frac{\delta n\left(\boldsymbol{r}^{\prime}, \omega\right)}{\left|\boldsymbol{r}-\boldsymbol{r}^{\prime}\right|} +\int \mathrm{d} \boldsymbol{r}^{\prime} f_{\mathrm{xc}} \left(\boldsymbol{r}, \boldsymbol{r}^{\prime}, \omega\right) \delta n\left(\boldsymbol{r}^{\prime}, \omega\right) . \]

Definition at line 714 of file sternheimer.F90.

zsternheimer_add_occ()

subroutine sternheimer_oct_m::zsternheimer_add_occ ( type(namespace_t), intent(in)  namespace, class(mesh_t), intent(in)  mesh, type(states_elec_t), intent(in)  st, complex(real64), dimension(:,:,:), intent(inout)  lr_psi, complex(real64), dimension(:,:,:), intent(in)  rhs, integer, intent(in)  sst, integer, intent(in)  est, integer, intent(in)  ik, complex(real64), intent(in)  omega, real(real64), intent(in)  degen_thres  )

private

add projection onto occupied states, by sum over states

Parameters

[in]	rhs	(np, ndim, nst)
[in]	sst	start state
[in]	est	start state

Definition at line 1125 of file sternheimer.F90.

zsternheimer_calc_hvar()

subroutine, public sternheimer_oct_m::zsternheimer_calc_hvar	(	type(sternheimer_t), intent(inout)	this,
		type(namespace_t), intent(in)	namespace,
		class(mesh_t), intent(in)	mesh,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(lr_t), dimension(:), intent(in)	lr,
		integer, intent(in)	nsigma,
		complex(real64), dimension(:,:,:), intent(out), contiguous	hvar,
		integer, intent(in), optional	idir
	)

Parameters

[out]

hvar

(1:meshnp, 1:stdnspin, 1:nsigma)

Definition at line 1190 of file sternheimer.F90.

zcalc_hvar()

subroutine, public sternheimer_oct_m::zcalc_hvar	(	type(namespace_t), intent(in)	namespace,
		logical, intent(in)	add_hartree,
		class(mesh_t), intent(in)	mesh,
		type(hamiltonian_elec_t), intent(in)	hm,
		real(real64), intent(in)	lrc_alpha,
		complex(real64), dimension(:,:), intent(in)	lr_rho,
		integer, intent(in)	nsigma,
		complex(real64), dimension(:,:,:), intent(out), contiguous	hvar,
		real(real64), dimension(:,:,:), intent(in), optional	fxc
	)

Computes the first-order variation of the Kohn-Sham Hamiltonian.

This is given by Eq. 3 in Andrade et al., Phys. Chem. Chem. Phsy. 17, 31371 (2015) except for the change in the external potential.

\[ \delta \hat{H}_{\rm int}(\omega)= \int \mathrm{d} \boldsymbol{r}^{\prime} \frac{\delta n\left(\boldsymbol{r}^{\prime}, \omega\right)}{\left|\boldsymbol{r}-\boldsymbol{r}^{\prime}\right|} +\int \mathrm{d} \boldsymbol{r}^{\prime} f _{\mathrm{xc}}\left(\boldsymbol{r}, \boldsymbol{r}^{\prime}, \omega\right) \delta n\left(\boldsymbol{r}^{\prime}, \omega\right) . \]

Parameters

[in]	lr_rho	(1:meshnp, 1:stdnspin)
[out]	hvar	(1:meshnp, 1:stdnspin, 1:nsigma)
[in]	fxc	(1:meshnp, 1:stdnspin, 1:stdnspin)

Definition at line 1233 of file sternheimer.F90.

zcalc_kvar()

subroutine, public sternheimer_oct_m::zcalc_kvar	(	type(sternheimer_t), intent(in)	this,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		complex(real64), dimension(:,:), intent(in)	lr_rho1,
		complex(real64), dimension(:,:), intent(in)	lr_rho2,
		integer, intent(in)	nsigma,
		complex(real64), dimension(:,:,:), intent(out)	kvar
	)

Parameters

[in]	lr_rho1	(1:meshnp, 1:stdnspin)
[in]	lr_rho2	(1:meshnp, 1:stdnspin)
[out]	kvar	(1:meshnp, 1:stdnspin, 1:nsigma)

Definition at line 1298 of file sternheimer.F90.

zsternheimer_set_rhs()

subroutine, public sternheimer_oct_m::zsternheimer_set_rhs	(	type(sternheimer_t), intent(inout)	this,
		complex(real64), dimension(:, :, :, :), intent(in), target	rhs
	)

Definition at line 1330 of file sternheimer.F90.

zsternheimer_set_inhomog()

subroutine, public sternheimer_oct_m::zsternheimer_set_inhomog	(	type(sternheimer_t), intent(inout)	this,
		complex(real64), dimension(:, :, :, :, :), intent(in), target	inhomog
	)

Definition at line 1342 of file sternheimer.F90.

zsternheimer_solve_order2()

subroutine, public sternheimer_oct_m::zsternheimer_solve_order2	(	type(sternheimer_t), intent(inout)	sh1,
		type(sternheimer_t), intent(inout)	sh2,
		type(sternheimer_t), intent(inout)	sh_2ndorder,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(grid_t), intent(in), target	gr,
		type(kpoints_t), intent(in)	kpoints,
		type(states_elec_t), intent(in)	st,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(multicomm_t), intent(in)	mc,
		type(lr_t), dimension(:), intent(inout)	lr1,
		type(lr_t), dimension(:), intent(inout)	lr2,
		integer, intent(in)	nsigma,
		complex(real64), intent(in)	omega1,
		complex(real64), intent(in)	omega2,
		class(perturbation_t), intent(in)	pert1,
		class(perturbation_t), intent(in)	pert2,
		type(lr_t), dimension(:), intent(inout)	lr_2ndorder,
		class(perturbation_t), intent(in)	pert_2ndorder,
		type(restart_t), intent(inout)	restart,
		character(len=*), intent(in)	rho_tag,
		character(len=*), intent(in)	wfs_tag,
		logical, intent(in), optional	have_restart_rho,
		logical, intent(in), optional	have_exact_freq,
		complex(real64), dimension(:,:,:,:), intent(in), optional	give_pert1psi2,
		real(real64), dimension(:,:), intent(in), optional	give_dl_eig1
	)

Parameters

[in]	give_pert1psi2	(np, ndim, ist, ik)
[in]	give_dl_eig1	(nst, nk) expectation values of bare perturbation

Definition at line 1355 of file sternheimer.F90.

dsternheimer_solve()

subroutine, public sternheimer_oct_m::dsternheimer_solve	(	type(sternheimer_t), intent(inout)	this,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(grid_t), intent(in), target	gr,
		type(kpoints_t), intent(in)	kpoints,
		type(states_elec_t), intent(in)	st,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(multicomm_t), intent(in)	mc,
		type(lr_t), dimension(:), intent(inout)	lr,
		integer, intent(in)	nsigma,
		real(real64), intent(in)	omega,
		class(perturbation_t), intent(in)	perturbation,
		type(restart_t), intent(inout)	restart,
		character(len=*), intent(in)	rho_tag,
		character(len=*), intent(in)	wfs_tag,
		integer, intent(in), optional	idir,
		logical, intent(in), optional	have_restart_rho,
		logical, intent(in), optional	have_exact_freq
	)

This routine calculates the first-order variations of the wavefunctions for an applied perturbation.

The perturbing Hamiltonian is usually given by

\[ \delta \hat{H}(\omega) =\delta \hat{v}(\boldsymbol{r}) +\int \mathrm{d} \boldsymbol{r}^{\prime} \frac{\delta n\left(\boldsymbol{r}^{\prime}, \omega\right)}{\left|\boldsymbol{r}-\boldsymbol{r}^{\prime}\right|} +\int \mathrm{d} \boldsymbol{r}^{\prime} f_{\mathrm{xc}} \left(\boldsymbol{r}, \boldsymbol{r}^{\prime}, \omega\right) \delta n\left(\boldsymbol{r}^{\prime}, \omega\right) . \]

Definition at line 1588 of file sternheimer.F90.

dsternheimer_add_occ()

subroutine sternheimer_oct_m::dsternheimer_add_occ ( type(namespace_t), intent(in)  namespace, class(mesh_t), intent(in)  mesh, type(states_elec_t), intent(in)  st, real(real64), dimension(:,:,:), intent(inout)  lr_psi, real(real64), dimension(:,:,:), intent(in)  rhs, integer, intent(in)  sst, integer, intent(in)  est, integer, intent(in)  ik, real(real64), intent(in)  omega, real(real64), intent(in)  degen_thres  )

private

add projection onto occupied states, by sum over states

Parameters

[in]	rhs	(np, ndim, nst)
[in]	sst	start state
[in]	est	start state

Definition at line 1999 of file sternheimer.F90.

dsternheimer_calc_hvar()

subroutine, public sternheimer_oct_m::dsternheimer_calc_hvar	(	type(sternheimer_t), intent(inout)	this,
		type(namespace_t), intent(in)	namespace,
		class(mesh_t), intent(in)	mesh,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(lr_t), dimension(:), intent(in)	lr,
		integer, intent(in)	nsigma,
		real(real64), dimension(:,:,:), intent(out), contiguous	hvar,
		integer, intent(in), optional	idir
	)

Parameters

[out]

hvar

(1:meshnp, 1:stdnspin, 1:nsigma)

Definition at line 2064 of file sternheimer.F90.

dcalc_hvar()

subroutine, public sternheimer_oct_m::dcalc_hvar	(	type(namespace_t), intent(in)	namespace,
		logical, intent(in)	add_hartree,
		class(mesh_t), intent(in)	mesh,
		type(hamiltonian_elec_t), intent(in)	hm,
		real(real64), intent(in)	lrc_alpha,
		real(real64), dimension(:,:), intent(in)	lr_rho,
		integer, intent(in)	nsigma,
		real(real64), dimension(:,:,:), intent(out), contiguous	hvar,
		real(real64), dimension(:,:,:), intent(in), optional	fxc
	)

Computes the first-order variation of the Kohn-Sham Hamiltonian.

This is given by Eq. 3 in Andrade et al., Phys. Chem. Chem. Phsy. 17, 31371 (2015) except for the change in the external potential.

\[ \delta \hat{H}_{\rm int}(\omega)= \int \mathrm{d} \boldsymbol{r}^{\prime} \frac{\delta n\left(\boldsymbol{r}^{\prime}, \omega\right)}{\left|\boldsymbol{r}-\boldsymbol{r}^{\prime}\right|} +\int \mathrm{d} \boldsymbol{r}^{\prime} f _{\mathrm{xc}}\left(\boldsymbol{r}, \boldsymbol{r}^{\prime}, \omega\right) \delta n\left(\boldsymbol{r}^{\prime}, \omega\right) . \]

Parameters

[in]	lr_rho	(1:meshnp, 1:stdnspin)
[out]	hvar	(1:meshnp, 1:stdnspin, 1:nsigma)
[in]	fxc	(1:meshnp, 1:stdnspin, 1:stdnspin)

Definition at line 2107 of file sternheimer.F90.

dcalc_kvar()

subroutine, public sternheimer_oct_m::dcalc_kvar	(	type(sternheimer_t), intent(in)	this,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		real(real64), dimension(:,:), intent(in)	lr_rho1,
		real(real64), dimension(:,:), intent(in)	lr_rho2,
		integer, intent(in)	nsigma,
		real(real64), dimension(:,:,:), intent(out)	kvar
	)

Parameters

[in]	lr_rho1	(1:meshnp, 1:stdnspin)
[in]	lr_rho2	(1:meshnp, 1:stdnspin)
[out]	kvar	(1:meshnp, 1:stdnspin, 1:nsigma)

Definition at line 2172 of file sternheimer.F90.

dsternheimer_set_rhs()

subroutine, public sternheimer_oct_m::dsternheimer_set_rhs	(	type(sternheimer_t), intent(inout)	this,
		real(real64), dimension(:, :, :, :), intent(in), target	rhs
	)

Definition at line 2204 of file sternheimer.F90.

dsternheimer_set_inhomog()

subroutine, public sternheimer_oct_m::dsternheimer_set_inhomog	(	type(sternheimer_t), intent(inout)	this,
		real(real64), dimension(:, :, :, :, :), intent(in), target	inhomog
	)

Definition at line 2216 of file sternheimer.F90.

dsternheimer_solve_order2()

subroutine, public sternheimer_oct_m::dsternheimer_solve_order2	(	type(sternheimer_t), intent(inout)	sh1,
		type(sternheimer_t), intent(inout)	sh2,
		type(sternheimer_t), intent(inout)	sh_2ndorder,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(grid_t), intent(in), target	gr,
		type(kpoints_t), intent(in)	kpoints,
		type(states_elec_t), intent(in)	st,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(multicomm_t), intent(in)	mc,
		type(lr_t), dimension(:), intent(inout)	lr1,
		type(lr_t), dimension(:), intent(inout)	lr2,
		integer, intent(in)	nsigma,
		real(real64), intent(in)	omega1,
		real(real64), intent(in)	omega2,
		class(perturbation_t), intent(in)	pert1,
		class(perturbation_t), intent(in)	pert2,
		type(lr_t), dimension(:), intent(inout)	lr_2ndorder,
		class(perturbation_t), intent(in)	pert_2ndorder,
		type(restart_t), intent(inout)	restart,
		character(len=*), intent(in)	rho_tag,
		character(len=*), intent(in)	wfs_tag,
		logical, intent(in), optional	have_restart_rho,
		logical, intent(in), optional	have_exact_freq,
		real(real64), dimension(:,:,:,:), intent(in), optional	give_pert1psi2,
		real(real64), dimension(:,:), intent(in), optional	give_dl_eig1
	)

Parameters

[in]	give_pert1psi2	(np, ndim, ist, ik)
[in]	give_dl_eig1	(nst, nk) expectation values of bare perturbation

Definition at line 2229 of file sternheimer.F90.

Variable Documentation

em_resp_photons_dir

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

Definition at line 196 of file sternheimer.F90.