Wannier90Mode
Wannier90Mode
Section Utilities::oct-wannier90
Type integer
Default 0
Specifies which stage of the Wannier90 interface to use
Options:
- none:
Nothing is done.
- w90_setup:
Writes parts of the wannier90 input file w90_prefix.win corresponding to
the octopus inp file. Importantly it generates the correct form of Monkhorst-Pack mesh
written to the file w90_kpoints that has to be used in a gs calculation of Octopus by
as include w90_kpoints instead of the %KpointsGrid block.
- w90_output:
Generates the relevant files for a wannier90 run, specified by the variable W90_interface_files.
This needs files previously generated
by wannier90.x -pp w90
- w90_wannier:
Parse the output of wannier90 to generate the Wannier states on the real-space grid.
The states will be written in the folder wannier. By default, the states are written as
binary files, similar to the Kohn-Sham states.
Not implemented for spinor states.