Octopus
wannier.F90 File Reference

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Modules

module  wannier_oct_m
 Wannier module.
 

Data Types

type  wannier_oct_m::wannier_t
 Main object containing all Wannier-related data and methods. More...
 

Functions/Subroutines

subroutine wannier_oct_m::wannier_init_from_input (this, namespace, kpoints, ions, space, st, gr)
 Initialize wannier object options from input files. More...
 
subroutine wannier_oct_m::wannier_build_effective_lattice (ions, space, gr, latt)
 Build the effective lattice used for TD Wannier geometry. More...
 
subroutine wannier_oct_m::wannier_init_parallelization (this, namespace, st, ions, kpoints)
 Initialize parallelization for wannier object. More...
 
subroutine wannier_oct_m::wannier_init_data_from_file (this, kpoints)
 Initialize wannier object data for TD run. More...
 
subroutine wannier_oct_m::wannier_restart_write_data (this, namespace, mc, gr)
 Write TD Wannier restart data. More...
 
subroutine wannier_oct_m::wannier_restart_read_data (this, namespace, mc, gr)
 Read TD Wannier restart data. More...
 
subroutine wannier_oct_m::wannier_write_iter (this, namespace, outp, ions, kpoints)
 Write TD Wannier data. More...
 
subroutine wannier_oct_m::wannier_update_matrices (this, iter, namespace, gr, space, st, kpoints, hm, dt)
 Update wannier transformation matrix. More...
 
subroutine wannier_oct_m::wannier_finalize (wan)
 Clean up wannier object data. More...