wannier_calc.F90 File Reference

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Modules
module	wannier_calc_oct_m
	Wannier90 related calculations.

Data Types
type	wannier_calc_oct_m::wannier_calc_proj_t
	Mocks the projection type from wannier90. More...

Functions/Subroutines
subroutine, public	wannier_calc_oct_m::wannier_calc_load_restart (namespace, mc, space, st, gr, kpoints, restart_states)
	Load Octopus restart data from disk. More...
subroutine, public	wannier_calc_oct_m::wannier_calc_create_amn (wan_opts, exclude_list, band_index, space, mesh, latt, st, kpoints, spin_channel, num_proj, proj_input, projection)
	Calculation of Wannier90 Projection Matrix. More...
subroutine, public	wannier_calc_oct_m::wannier_calc_create_mmn (exclude_list, band_index, mesh, st, ions, spin_channel, nnlist, nncell, overlap)
	Kohn-Sham State Overlap Matrix. More...
subroutine, public	wannier_calc_oct_m::wannier_calc_read_centers (wan_opts, centers)
	Read wannier centers. More...
subroutine, public	wannier_calc_oct_m::wannier_calc_read_u_matrices (wan_opts, kpoints, u_matrix, u_dis_matrix)
	Read wannier transformation matrix. More...
subroutine, public	wannier_calc_oct_m::wannier_calc_write_centers (dir, prefix, centers, ions)
	Write wannier centers to file. More...
subroutine, public	wannier_calc_oct_m::wannier_calc_write_u_matrices (dir, prefix, kpoints, u_matrix, u_dis_matrix)
	Write U and U_dis matrices to file. More...