Octopus
kpoints.F90 File Reference

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Modules

module  kpoints_oct_m
 

Data Types

type  kpoints_oct_m::kpoints_grid_t
 
type  kpoints_oct_m::kpoints_t
 

Functions/Subroutines

subroutine, public kpoints_oct_m::kpoints_grid_init (dim, this, npoints, nshifts)
 
subroutine, public kpoints_oct_m::kpoints_grid_end (this)
 
subroutine kpoints_oct_m::kpoints_grid_copy (bb, aa)
 
subroutine kpoints_oct_m::kpoints_grid_addto (this, that)
 
subroutine, public kpoints_oct_m::kpoints_init (this, namespace, symm, dim, periodic_dim, latt)
 
subroutine read_mp (gamma_only)
 
subroutine read_path ()
 Read the k-points path information and generate the k-points list. More...
 
subroutine read_user_kpoints ()
 
subroutine, public kpoints_oct_m::kpoints_end (this)
 
subroutine, public kpoints_oct_m::kpoints_to_absolute (latt, kin, kout)
 
subroutine, public kpoints_oct_m::kpoints_to_reduced (latt, kin, kout)
 
subroutine, public kpoints_oct_m::kpoints_copy (kin, kout)
 
integer pure function, public kpoints_oct_m::kpoints_number (this)
 
pure real(real64) function, dimension(1:this%full%dim) kpoints_oct_m::kpoints_get_point (this, ik, absolute_coordinates)
 
real(real64) pure function kpoints_oct_m::kpoints_get_weight (this, ik)
 
subroutine, public kpoints_oct_m::kpoints_grid_generate (dim, naxis, nshifts, shift, kpoints, lk123)
 Generates the k-points grid. More...
 
subroutine, public kpoints_oct_m::kpoints_path_generate (dim, latt, nkpoints, nsegments, resolution, highsympoints, kpoints, coord)
 Generate the k-point along a path. More...
 
subroutine kpoints_oct_m::kpoints_grid_reduce (symm, time_reversal, nkpoints, dim, kpoints, weights, symm_ops, num_symm_ops)
 
subroutine, public kpoints_oct_m::kpoints_fold_to_1bz (grid, latt)
 
subroutine kpoints_oct_m::kpoints_write_info (this, iunit, namespace, absolute_coordinates)
 
logical pure function, public kpoints_oct_m::kpoints_point_is_gamma (this, ik)
 
integer pure function, public kpoints_oct_m::kpoints_get_num_symmetry_ops (this, ik)
 
integer pure function, public kpoints_oct_m::kpoints_get_symmetry_ops (this, ik, index)
 
logical pure function, public kpoints_oct_m::kpoints_is_valid_symmetry (this, ik, index)
 
integer function, public kpoints_oct_m::kpoints_kweight_denominator (this)
 
logical pure function kpoints_oct_m::kpoints_have_zero_weight_path (this)
 
integer pure function kpoints_oct_m::kpoints_get_kpoint_method (this)
 
real(real64) pure function, public kpoints_oct_m::kpoints_get_path_coord (this, ind)
 
subroutine kpoints_oct_m::kpoints_check_symmetries (grid, symm, dim, time_reversal, namespace)
 
logical function, public kpoints_oct_m::kpoints_is_compatible_downsampling (kpt, ik, iq)
 
integer function, public kpoints_oct_m::kpoints_nkpt_in_path (this)
 
logical function kpoints_oct_m::kpoints_gamma_only (this)
 
subroutine, public kpoints_oct_m::kpoints_lattice_vectors_update (this, new_latt)
 

Variables

integer, parameter, public kpoints_oct_m::kpoints_gamma = 2
 
integer, parameter, public kpoints_oct_m::kpoints_monkh_pack = 4
 
integer, parameter, public kpoints_oct_m::kpoints_user = 8
 
integer, parameter, public kpoints_oct_m::kpoints_path = 16
 

Function/Subroutine Documentation

◆ read_mp()

subroutine kpoints_init::read_mp ( logical, intent(in)  gamma_only)
private

Definition at line 484 of file kpoints.F90.

◆ read_path()

subroutine kpoints_init::read_path
private

Read the k-points path information and generate the k-points list.

Definition at line 728 of file kpoints.F90.

◆ read_user_kpoints()

subroutine kpoints_init::read_user_kpoints
private

Definition at line 876 of file kpoints.F90.