mergerefined Program

Uses

work on the visualization set #

read in the k-points data

work on the integration set #

read in the k-points data


Variables

Type Attributes Name Initial
integer :: nBZdim
integer :: nCub3(3)
double precision :: bounds(3,2)
double precision :: areatot
integer :: nkpts_refined
integer :: nkpts_irr_refined
integer :: nsym_refined
integer :: nkpts_orig
integer :: nkpts_irr_orig
integer :: nsym_orig
integer :: nkpts_new
integer :: nkpts_irr_new
integer :: nkpts_orig_filtered
integer, allocatable :: isym_refined(:)
integer, allocatable :: kpt2irr_refined(:)
integer, allocatable :: irr2kpt_refined(:)
integer, allocatable :: cubeids_refined(:)
integer, allocatable :: isym_orig(:)
integer, allocatable :: kpt2irr_orig(:)
integer, allocatable :: irr2kpt_orig(:)
integer, allocatable :: cubeids_orig(:)
integer, allocatable :: isym_new(:)
integer, allocatable :: kpt2irr_new(:)
integer, allocatable :: irr2kpt_new(:)
integer, allocatable :: cubeids_new(:)
integer, allocatable :: cubeids_orig_save(:)
double precision, allocatable :: kpoints_irr_refined(:,:)
double precision, allocatable :: kpoints_refined(:,:)
double precision, allocatable :: areas_refined(:)
double precision, allocatable :: kpoints_irr_orig(:,:)
double precision, allocatable :: kpoints_orig(:,:)
double precision, allocatable :: areas_orig(:)
double precision, allocatable :: kpoints_irr_new(:,:)
double precision, allocatable :: kpoints_new(:,:)
double precision, allocatable :: areas_new(:)
integer :: ierr
integer :: ikp
integer :: itri
integer :: itmparr(1)
character(len=256) :: filename
integer, parameter :: ifile = 1656
double precision :: rotmat(64,3,3)
character(len=10) :: rotname(64)
character(len=256) :: scalarstring(3)
character(len=256) :: vectorstring(1)
double precision, allocatable :: vectordata(:,:,:)
double precision, allocatable :: scalardata(:,:)
integer :: iarg
integer :: narg
character(len=20) :: arg_name

Functions

function area_triangle(kpoints)

Arguments

Type IntentOptional Attributes Name
double precision, intent(in) :: kpoints(3,3)

Return Value doubleprecision


Subroutines

subroutine merge_arrays_int()

Arguments

None

subroutine merge_arrays_vis()

Arguments

None

subroutine find_cubeids_int(nkpts_in, kpoints_in, bounds, nCub3, cubeids)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nkpts_in
double precision, intent(in) :: kpoints_in(3,nkpts_in)
double precision, intent(in) :: bounds(3,2)
integer, intent(in) :: nCub3(3)
integer, intent(out), allocatable :: cubeids(:)

subroutine find_cubeids_vis(nBZdim, nkpts_in, kpoints_in, bounds, nCub3, cubeids, areas)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nBZdim
integer, intent(in) :: nkpts_in
double precision, intent(in) :: kpoints_in(3,nkpts_in)
double precision, intent(in) :: bounds(3,2)
integer, intent(in) :: nCub3(3)
integer, intent(out), allocatable :: cubeids(:)
double precision, intent(out), allocatable :: areas(:)

subroutine kpoint_to_indices(nCub3, bounds, kpoint, ii3, ixyz)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nCub3(3)
double precision, intent(in) :: bounds(3,2)
double precision, intent(in) :: kpoint(3)
integer, intent(out) :: ii3(3)
integer, intent(out) :: ixyz