Detailed Description

Definition at line 180 of file pes_flux.F90.

Public Attributes
integer, public	surf_shape
	shape of the surface (= cube/sphere/planes) More...

integer, dimension(3), public	ll
	the dimensions of a cubic mesh containing the momentum-space More...

Private Attributes
integer	nkpnts
	total number of k-points More...

integer	nkpnts_start

integer	nkpnts_end
	start/end of index for k-points on the current node More...

integer	nk

integer	nk_start

integer	nk_end

integer	nstepsthetak

integer	nstepsphik
	parameters for k-mesh More...

real(real64), dimension(1:2)	thetak_rng
	the range of thetak in [0,pi] More...

real(real64), dimension(1:2)	phik_rng
	the range of phik in [0,2pi] More...

integer	nstepsomegak

integer	nstepsomegak_start

integer	nstepsomegak_end

real(real64), dimension(1:3, 1:3)	ktransf
	transformation matrix for k-mesh More...

real(real64), dimension(:,:), allocatable	klinear
	A set of liner grids to help define the k-mesh. More...

real(real64)	dk
	parameters for k-mesh More...

real(real64), dimension(:,:,:), allocatable	kcoords_cub
	coordinates of k-points More...

real(real64), dimension(:,:,:), allocatable	kcoords_sph

integer	kgrid
	how is the grid in k: polar/cartesian More...

integer	nsrfcpnts
	total number of surface points More...

integer	nsrfcpnts_start

integer	nsrfcpnts_end
	for cubic surface: number of surface points on node More...

real(real64), dimension(:,:), allocatable	srfcnrml
	vectors normal to the surface (includes surface element) More...

real(real64), dimension(:,:), allocatable	rcoords
	coordinates of the surface points More...

integer, dimension(:), allocatable	srfcpnt
	for cubic surface: returns local index of the surface points More...

integer, dimension(:), allocatable	rankmin
	for cubic surface: returns node which has the surface point More...

integer	lmax
	for spherical surface More...

complex(real64), dimension(:,:,:), allocatable	ylm_r
	for spherical surface More...

complex(real64), dimension(:,:,:), allocatable	ylm_k
	for spherical surface More...

real(real64), dimension(:,:), allocatable	j_l
	for spherical surface More...

real(real64)	radius

integer, dimension(:,:), allocatable	face_idx_range
	face_idx_start(nface,1:2) More...

complex(real64), dimension(:,:), allocatable	bvk_phase
	for cubic surface: Born-von Karman phase More...

complex(real64), dimension(:,:,:,:), allocatable	expkr
	for cubic surface: Exponential tabulated on the cube face More...

complex(real64), dimension(:,:), allocatable	expkr_perp
	for cubic surface: Exponential tabulated on the More...

real(real64), dimension(:,:), allocatable	llr
	for cubic surface: coordinates of the face edges More...

integer, dimension(:,:), allocatable	nn
	for cubic surface: number of points on each face mapping coord More...

integer, dimension(:,:,:), allocatable	lkpuvz_inv
	map a point on the momentum mesh into its components u,v,z More...

integer	tdsteps
	= 1 (PES_PLANE/PES_CUBIC) More...

integer	max_iter
	tdmax_iter More...

integer	save_iter
	1 More...

integer	itstep
	1 <= itstep <= tdsteps More...

complex(real64), dimension(:,:,:,:,:), allocatable	wf
	wavefunction More...

complex(real64), dimension(:,:,:,:,:,:), allocatable	gwf
	gradient of wavefunction More...

real(real64), dimension(:,:), allocatable	veca
	vector potential More...

complex(real64), dimension(:,:), allocatable	conjgphase_prev
	Volkov phase for all k-points from previous time step. More...

complex(real64), dimension(:,:,:,:), allocatable	spctramp_cub
	spectral amplitude More...

complex(real64), dimension(:,:,:,:,:), allocatable	spctramp_sph

type(mesh_interpolation_t)	interp

logical	parallel_in_momentum
	whether we are parallelizing over the k-mesh More...

logical	arpes_grid

logical	surf_interp
	interpolate points on the surface More...

logical	use_symmetry

logical	runtime_output

logical	anisotrpy_correction

integer	par_strategy
	parallelization strategy More...

integer	dim
	simulation box dimensions More...

integer	pdim
	periodic dimensions More...

type(accel_mem_t)	pt_buff

type(accel_mem_t)	interp_buff

type(accel_mem_t)	spacing_buff

type(accel_mem_t)	coords_buff

Member Data Documentation

◆ nkpnts

integer pes_flux_oct_m::pes_flux_t::nkpnts

private

total number of k-points

Definition at line 186 of file pes_flux.F90.

◆ nkpnts_start

integer pes_flux_oct_m::pes_flux_t::nkpnts_start

private

Definition at line 187 of file pes_flux.F90.

◆ nkpnts_end

integer pes_flux_oct_m::pes_flux_t::nkpnts_end

private

start/end of index for k-points on the current node

Definition at line 187 of file pes_flux.F90.

◆ nk

integer pes_flux_oct_m::pes_flux_t::nk

private

Definition at line 188 of file pes_flux.F90.

◆ nk_start

integer pes_flux_oct_m::pes_flux_t::nk_start

private

Definition at line 189 of file pes_flux.F90.

◆ nk_end

integer pes_flux_oct_m::pes_flux_t::nk_end

private

Definition at line 189 of file pes_flux.F90.

◆ nstepsthetak

integer pes_flux_oct_m::pes_flux_t::nstepsthetak

private

Definition at line 192 of file pes_flux.F90.

◆ nstepsphik

integer pes_flux_oct_m::pes_flux_t::nstepsphik

private

parameters for k-mesh

Definition at line 192 of file pes_flux.F90.

◆ thetak_rng

real(real64), dimension(1:2) pes_flux_oct_m::pes_flux_t::thetak_rng

private

the range of thetak in [0,pi]

Definition at line 193 of file pes_flux.F90.

◆ phik_rng

real(real64), dimension(1:2) pes_flux_oct_m::pes_flux_t::phik_rng

private

the range of phik in [0,2pi]

Definition at line 194 of file pes_flux.F90.

◆ nstepsomegak

integer pes_flux_oct_m::pes_flux_t::nstepsomegak

private

Definition at line 195 of file pes_flux.F90.

◆ nstepsomegak_start

integer pes_flux_oct_m::pes_flux_t::nstepsomegak_start

private

Definition at line 196 of file pes_flux.F90.

◆ nstepsomegak_end

integer pes_flux_oct_m::pes_flux_t::nstepsomegak_end

private

Definition at line 196 of file pes_flux.F90.

◆ ktransf

real(real64), dimension(1:3,1:3) pes_flux_oct_m::pes_flux_t::ktransf

private

transformation matrix for k-mesh

Definition at line 197 of file pes_flux.F90.

◆ klinear

real(real64), dimension(:,:), allocatable pes_flux_oct_m::pes_flux_t::klinear

private

A set of liner grids to help define the k-mesh.

Definition at line 199 of file pes_flux.F90.

◆ dk

real(real64) pes_flux_oct_m::pes_flux_t::dk

private

parameters for k-mesh

Definition at line 203 of file pes_flux.F90.

◆ kcoords_cub

real(real64), dimension(:,:,:), allocatable pes_flux_oct_m::pes_flux_t::kcoords_cub

private

coordinates of k-points

Definition at line 204 of file pes_flux.F90.

◆ kcoords_sph

real(real64), dimension(:,:,:), allocatable pes_flux_oct_m::pes_flux_t::kcoords_sph

private

Definition at line 205 of file pes_flux.F90.

◆ kgrid

integer pes_flux_oct_m::pes_flux_t::kgrid

private

how is the grid in k: polar/cartesian

Definition at line 206 of file pes_flux.F90.

◆ surf_shape

integer, public pes_flux_oct_m::pes_flux_t::surf_shape

shape of the surface (= cube/sphere/planes)

Definition at line 209 of file pes_flux.F90.

◆ nsrfcpnts

integer pes_flux_oct_m::pes_flux_t::nsrfcpnts

private

total number of surface points

Definition at line 210 of file pes_flux.F90.

◆ nsrfcpnts_start

integer pes_flux_oct_m::pes_flux_t::nsrfcpnts_start

private

Definition at line 211 of file pes_flux.F90.

◆ nsrfcpnts_end

integer pes_flux_oct_m::pes_flux_t::nsrfcpnts_end

private

for cubic surface: number of surface points on node

Definition at line 211 of file pes_flux.F90.

◆ srfcnrml

real(real64), dimension(:,:), allocatable pes_flux_oct_m::pes_flux_t::srfcnrml

private

vectors normal to the surface (includes surface element)

Definition at line 212 of file pes_flux.F90.

◆ rcoords

real(real64), dimension(:,:), allocatable pes_flux_oct_m::pes_flux_t::rcoords

private

coordinates of the surface points

Definition at line 213 of file pes_flux.F90.

◆ srfcpnt

integer, dimension(:), allocatable pes_flux_oct_m::pes_flux_t::srfcpnt

private

for cubic surface: returns local index of the surface points

Definition at line 214 of file pes_flux.F90.

◆ rankmin

integer, dimension(:), allocatable pes_flux_oct_m::pes_flux_t::rankmin

private

for cubic surface: returns node which has the surface point

Definition at line 215 of file pes_flux.F90.

◆ lmax

integer pes_flux_oct_m::pes_flux_t::lmax

private

for spherical surface

Definition at line 216 of file pes_flux.F90.

◆ ylm_r

complex(real64), dimension(:,:,:), allocatable pes_flux_oct_m::pes_flux_t::ylm_r

private

for spherical surface

Definition at line 217 of file pes_flux.F90.

◆ ylm_k

complex(real64), dimension(:,:,:), allocatable pes_flux_oct_m::pes_flux_t::ylm_k

private

for spherical surface

Definition at line 218 of file pes_flux.F90.

◆ j_l

real(real64), dimension(:,:), allocatable pes_flux_oct_m::pes_flux_t::j_l

private

for spherical surface

Definition at line 219 of file pes_flux.F90.

◆ radius

real(real64) pes_flux_oct_m::pes_flux_t::radius

private

Definition at line 220 of file pes_flux.F90.

◆ face_idx_range

integer, dimension(:,:), allocatable pes_flux_oct_m::pes_flux_t::face_idx_range

private

face_idx_start(nface,1:2)

Definition at line 221 of file pes_flux.F90.

◆ bvk_phase

complex(real64), dimension(:,:), allocatable pes_flux_oct_m::pes_flux_t::bvk_phase

private

for cubic surface: Born-von Karman phase

Definition at line 225 of file pes_flux.F90.

◆ expkr

complex(real64), dimension(:,:,:,:), allocatable pes_flux_oct_m::pes_flux_t::expkr

private

for cubic surface: Exponential tabulated on the cube face

Definition at line 226 of file pes_flux.F90.

◆ expkr_perp

complex(real64), dimension(:,:), allocatable pes_flux_oct_m::pes_flux_t::expkr_perp

private

for cubic surface: Exponential tabulated on the

Definition at line 227 of file pes_flux.F90.

◆ llr

real(real64), dimension(:,:), allocatable pes_flux_oct_m::pes_flux_t::llr

private

for cubic surface: coordinates of the face edges

Definition at line 229 of file pes_flux.F90.

◆ nn

integer, dimension(:,:), allocatable pes_flux_oct_m::pes_flux_t::nn

private

for cubic surface: number of points on each face mapping coord

Definition at line 230 of file pes_flux.F90.

◆ lkpuvz_inv

integer, dimension(:,:,:), allocatable pes_flux_oct_m::pes_flux_t::lkpuvz_inv

private

map a point on the momentum mesh into its components u,v,z

Definition at line 231 of file pes_flux.F90.

◆ tdsteps

integer pes_flux_oct_m::pes_flux_t::tdsteps

private

= 1 (PES_PLANE/PES_CUBIC)

Definition at line 235 of file pes_flux.F90.

◆ max_iter

integer pes_flux_oct_m::pes_flux_t::max_iter

private

tdmax_iter

Definition at line 237 of file pes_flux.F90.

◆ save_iter

integer pes_flux_oct_m::pes_flux_t::save_iter

private

1

Definition at line 238 of file pes_flux.F90.

◆ itstep

integer pes_flux_oct_m::pes_flux_t::itstep

private

1 <= itstep <= tdsteps

Definition at line 239 of file pes_flux.F90.

◆ wf

complex(real64), dimension(:,:,:,:,:), allocatable pes_flux_oct_m::pes_flux_t::wf

private

wavefunction

Definition at line 241 of file pes_flux.F90.

◆ gwf

complex(real64), dimension(:,:,:,:,:,:), allocatable pes_flux_oct_m::pes_flux_t::gwf

private

gradient of wavefunction

Definition at line 242 of file pes_flux.F90.

◆ veca

real(real64), dimension(:,:), allocatable pes_flux_oct_m::pes_flux_t::veca

private

vector potential

Definition at line 243 of file pes_flux.F90.

◆ conjgphase_prev

complex(real64), dimension(:,:), allocatable pes_flux_oct_m::pes_flux_t::conjgphase_prev

private

Volkov phase for all k-points from previous time step.

Definition at line 244 of file pes_flux.F90.

◆ spctramp_cub

complex(real64), dimension(:,:,:,:), allocatable pes_flux_oct_m::pes_flux_t::spctramp_cub

private

spectral amplitude

Definition at line 245 of file pes_flux.F90.

◆ spctramp_sph

complex(real64), dimension(:,:,:,:,:), allocatable pes_flux_oct_m::pes_flux_t::spctramp_sph

private

Definition at line 246 of file pes_flux.F90.

◆ ll

integer, dimension(3), public pes_flux_oct_m::pes_flux_t::ll

the dimensions of a cubic mesh containing the momentum-space

Definition at line 248 of file pes_flux.F90.

◆ interp

type(mesh_interpolation_t) pes_flux_oct_m::pes_flux_t::interp

private

Definition at line 251 of file pes_flux.F90.

◆ parallel_in_momentum

logical pes_flux_oct_m::pes_flux_t::parallel_in_momentum

private

whether we are parallelizing over the k-mesh

Definition at line 253 of file pes_flux.F90.

◆ arpes_grid

logical pes_flux_oct_m::pes_flux_t::arpes_grid

private

Definition at line 254 of file pes_flux.F90.

◆ surf_interp

logical pes_flux_oct_m::pes_flux_t::surf_interp

private

interpolate points on the surface

Definition at line 255 of file pes_flux.F90.

◆ use_symmetry

logical pes_flux_oct_m::pes_flux_t::use_symmetry

private

Definition at line 256 of file pes_flux.F90.

◆ runtime_output

logical pes_flux_oct_m::pes_flux_t::runtime_output

private

Definition at line 257 of file pes_flux.F90.

◆ anisotrpy_correction

logical pes_flux_oct_m::pes_flux_t::anisotrpy_correction

private

Definition at line 258 of file pes_flux.F90.

◆ par_strategy

integer pes_flux_oct_m::pes_flux_t::par_strategy

private

parallelization strategy

Definition at line 260 of file pes_flux.F90.

◆ dim

integer pes_flux_oct_m::pes_flux_t::dim

private

simulation box dimensions

Definition at line 261 of file pes_flux.F90.

◆ pdim

integer pes_flux_oct_m::pes_flux_t::pdim

private

periodic dimensions

Definition at line 262 of file pes_flux.F90.

◆ pt_buff

type(accel_mem_t) pes_flux_oct_m::pes_flux_t::pt_buff

private

Definition at line 265 of file pes_flux.F90.

◆ interp_buff

type(accel_mem_t) pes_flux_oct_m::pes_flux_t::interp_buff

private

Definition at line 266 of file pes_flux.F90.

◆ spacing_buff

type(accel_mem_t) pes_flux_oct_m::pes_flux_t::spacing_buff

private

Definition at line 267 of file pes_flux.F90.

◆ coords_buff

type(accel_mem_t) pes_flux_oct_m::pes_flux_t::coords_buff

private

Definition at line 268 of file pes_flux.F90.

The documentation for this type was generated from the following file:

td/pes_flux.F90

Detailed Description

Public Attributes

Private Attributes

Member Data Documentation

◆ nkpnts

◆ nkpnts_start

◆ nkpnts_end

◆ nk

◆ nk_start

◆ nk_end

◆ nstepsthetak

◆ nstepsphik

◆ thetak_rng

◆ phik_rng

◆ nstepsomegak

◆ nstepsomegak_start

◆ nstepsomegak_end

◆ ktransf

◆ klinear

◆ dk

◆ kcoords_cub

◆ kcoords_sph

◆ kgrid

◆ surf_shape

◆ nsrfcpnts

◆ nsrfcpnts_start

◆ nsrfcpnts_end

◆ srfcnrml

◆ rcoords

◆ srfcpnt

◆ rankmin

◆ lmax

◆ ylm_r

◆ ylm_k

◆ j_l

◆ radius

◆ face_idx_range

◆ bvk_phase

◆ expkr

◆ expkr_perp

◆ llr

◆ nn

◆ lkpuvz_inv

◆ tdsteps

◆ max_iter

◆ save_iter

◆ itstep

◆ wf

◆ gwf

◆ veca

◆ conjgphase_prev

◆ spctramp_cub

◆ spctramp_sph

◆ ll

◆ interp

◆ parallel_in_momentum

◆ arpes_grid

◆ surf_interp

◆ use_symmetry

◆ runtime_output

◆ anisotrpy_correction

◆ par_strategy

◆ dim

◆ pdim

◆ pt_buff

◆ interp_buff

◆ spacing_buff

◆ coords_buff