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pes_flux_oct_m::pes_flux_t Type Reference

Detailed Description

Definition at line 171 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) 1 (2) start (end) idx of face nface in rcoords(:,:) 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 direction perpendicular to the face 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 (u,v parametric on face More...
 
integer tdsteps
 = sysoutprestart_write_interval (PES_PLANE/PES_CUBIC) More...
 
integer max_iter
 tdmax_iter More...
 
integer save_iter
 sysoutprestart_write_interval 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...
 

Member Data Documentation

◆ nkpnts

integer pes_flux_oct_m::pes_flux_t::nkpnts
private

total number of k-points

Definition at line 177 of file pes_flux.F90.

◆ nkpnts_start

integer pes_flux_oct_m::pes_flux_t::nkpnts_start
private

Definition at line 178 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 178 of file pes_flux.F90.

◆ nk

integer pes_flux_oct_m::pes_flux_t::nk
private

Definition at line 179 of file pes_flux.F90.

◆ nk_start

integer pes_flux_oct_m::pes_flux_t::nk_start
private

Definition at line 180 of file pes_flux.F90.

◆ nk_end

integer pes_flux_oct_m::pes_flux_t::nk_end
private

Definition at line 180 of file pes_flux.F90.

◆ nstepsthetak

integer pes_flux_oct_m::pes_flux_t::nstepsthetak
private

Definition at line 183 of file pes_flux.F90.

◆ nstepsphik

integer pes_flux_oct_m::pes_flux_t::nstepsphik
private

parameters for k-mesh

Definition at line 183 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 184 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 185 of file pes_flux.F90.

◆ nstepsomegak

integer pes_flux_oct_m::pes_flux_t::nstepsomegak
private

Definition at line 186 of file pes_flux.F90.

◆ nstepsomegak_start

integer pes_flux_oct_m::pes_flux_t::nstepsomegak_start
private

Definition at line 187 of file pes_flux.F90.

◆ nstepsomegak_end

integer pes_flux_oct_m::pes_flux_t::nstepsomegak_end
private

Definition at line 187 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 188 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 190 of file pes_flux.F90.

◆ dk

real(real64) pes_flux_oct_m::pes_flux_t::dk
private

parameters for k-mesh

Definition at line 194 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 195 of file pes_flux.F90.

◆ kcoords_sph

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

Definition at line 196 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 197 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 200 of file pes_flux.F90.

◆ nsrfcpnts

integer pes_flux_oct_m::pes_flux_t::nsrfcpnts
private

total number of surface points

Definition at line 201 of file pes_flux.F90.

◆ nsrfcpnts_start

integer pes_flux_oct_m::pes_flux_t::nsrfcpnts_start
private

Definition at line 202 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 202 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 203 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 204 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 205 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 206 of file pes_flux.F90.

◆ lmax

integer pes_flux_oct_m::pes_flux_t::lmax
private

for spherical surface

Definition at line 207 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 208 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 209 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 210 of file pes_flux.F90.

◆ radius

real(real64) pes_flux_oct_m::pes_flux_t::radius
private

Definition at line 211 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) 1 (2) start (end) idx of face nface in rcoords(:,:)

Definition at line 212 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 215 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 216 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 direction perpendicular to the face

Definition at line 217 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 218 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 219 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 (u,v parametric on face

Definition at line 220 of file pes_flux.F90.

◆ tdsteps

integer pes_flux_oct_m::pes_flux_t::tdsteps
private

= sysoutprestart_write_interval (PES_PLANE/PES_CUBIC)

Definition at line 224 of file pes_flux.F90.

◆ max_iter

integer pes_flux_oct_m::pes_flux_t::max_iter
private

tdmax_iter

Definition at line 226 of file pes_flux.F90.

◆ save_iter

integer pes_flux_oct_m::pes_flux_t::save_iter
private

sysoutprestart_write_interval

Definition at line 227 of file pes_flux.F90.

◆ itstep

integer pes_flux_oct_m::pes_flux_t::itstep
private

1 <= itstep <= tdsteps

Definition at line 228 of file pes_flux.F90.

◆ wf

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

wavefunction

Definition at line 230 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 231 of file pes_flux.F90.

◆ veca

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

vector potential

Definition at line 232 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 233 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 234 of file pes_flux.F90.

◆ spctramp_sph

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

Definition at line 235 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 237 of file pes_flux.F90.

◆ interp

type(mesh_interpolation_t) pes_flux_oct_m::pes_flux_t::interp
private

Definition at line 240 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 242 of file pes_flux.F90.

◆ arpes_grid

logical pes_flux_oct_m::pes_flux_t::arpes_grid
private

Definition at line 243 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 244 of file pes_flux.F90.

◆ use_symmetry

logical pes_flux_oct_m::pes_flux_t::use_symmetry
private

Definition at line 245 of file pes_flux.F90.

◆ runtime_output

logical pes_flux_oct_m::pes_flux_t::runtime_output
private

Definition at line 246 of file pes_flux.F90.

◆ anisotrpy_correction

logical pes_flux_oct_m::pes_flux_t::anisotrpy_correction
private

Definition at line 247 of file pes_flux.F90.

◆ par_strategy

integer pes_flux_oct_m::pes_flux_t::par_strategy
private

parallelization strategy

Definition at line 249 of file pes_flux.F90.

◆ dim

integer pes_flux_oct_m::pes_flux_t::dim
private

simulation box dimensions

Definition at line 250 of file pes_flux.F90.

◆ pdim

integer pes_flux_oct_m::pes_flux_t::pdim
private

periodic dimensions

Definition at line 251 of file pes_flux.F90.

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