sisl.io.wannier90.winSileWannier90
- class sisl.io.wannier90.winSileWannier90(filename, mode='r', comment=None, *args, **kwargs)[source]
Bases:
SileWannier90
Wannier seedname input file object
This Sile enables easy interaction with the Wannier90 code.
A seedname is the basis of reading all Wannier90 output because every file in Wannier90 is based of the name of the seed.
Hence, if the correct flags are present in the seedname.win file, and the corresponding files are created, then the corresponding quantity may be read.
For instance to read the Wannier-centres you must have this in your seedname.win:
write_xyz = true translate_home_cell = False
while if you want to read the Wannier Hamiltonian you should have this:
write_xyz = true plot_hr = true translate_home_cell = False
Examples
>>> wan90 = get_sile('seedname.win') >>> H = wan90.read_hamiltonian() >>> H = wan90.read_hamiltonian(dtype=numpy.float64) >>> H = wan90.read_hamiltonian(cutoff=0.00001)
Methods
dir_file
([filename, filename_base])File of the current Sile
read
(*args, **kwargs)Generic read method which should be overloaded in child-classes
read_geometry
(*args, **kwargs)Reads a Geometry and creates the Wannier90 cell
read_hamiltonian
(*args, **kwargs)Read the electronic structure of the Wannier90 output
Reads a SuperCell and creates the Wannier90 cell
write
(*args, **kwargs)Generic write method which should be overloaded in child-classes
write_geometry
(geom[, fmt])Writes the geometry to the contained file
write_supercell
(sc[, fmt])Writes the supercell to the contained file
File of the current Sile
File of the current Sile
- __init__(filename, mode='r', comment=None, *args, **kwargs)
- property base_file
File of the current Sile
- dir_file(filename=None, filename_base='')
File of the current Sile
- property file
File of the current Sile
- plot
Handles all plotting possibilities for a class
- read(*args, **kwargs)
Generic read method which should be overloaded in child-classes
- Parameters
kwargs – keyword arguments will try and search for the attribute
read_<>
and call it with the remaining**kwargs
as arguments.
- read_hamiltonian(*args, **kwargs)[source]
Read the electronic structure of the Wannier90 output
- Parameters
cutoff (float, optional) – the cutoff value for the zero Hamiltonian elements, default to 0.00001 eV.
- to_json()
- write(*args, **kwargs)
Generic write method which should be overloaded in child-classes
- Parameters
**kwargs – keyword arguments will try and search for the attribute write_ and call it with the remaining
**kwargs
as arguments.