winSileWannier90¶
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class
sisl.io.wannier90.
winSileWannier90
(filename, mode='r', comment=None, *args, **kwargs)[source]¶ 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 = Falsewhile if you want to read the Wannier Hamiltonian you should have this:
write_xyz = true plot_hr = true translate_home_cell = FalseExamples
>>> wan90 = get_sile('seedname.win') >>> H = wan90.read_hamiltonian() >>> H = wan90.read_hamiltonian(dtype=numpy.float64) >>> H = wan90.read_hamiltonian(cutoff=0.00001)
Attributes
base_file
File of the current Sile file
File of the current Sile Methods
__init__
(filename[, mode, comment])Initialize self. dir_file
([filename])File of the current Sile exist
()Query whether the file exists 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 read_supercell
()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 supercel to the contained file -
base_file
¶ File of the current Sile
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dir_file
(filename=None)¶ File of the current Sile
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exist
()¶ Query whether the file exists
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file
¶ File of the current Sile
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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.
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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.
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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.
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