winSileWannier90

class sisl.io.wannier90.winSileWannier90(filename, mode='r', comment=None, *args, **kwargs)

Bases: sisl.io.wannier90.sile.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)

Attributes

__dict__
__doc__
__module__
__weakref__	list of weak references to the object (if defined)
_write_default
_write_default_only
base_file	File of the current Sile
file	File of the current Sile

Methods

_ArgumentParser_args_single()	Default arguments for the Sile
__delattr__	Implement delattr(self, name).
__dir__	Default dir() implementation.
__enter__()	Opens the output file and returns it self
__eq__	Return self==value.
__exit__(type, value, traceback)
__format__	Default object formatter.
__ge__	Return self>=value.
__getattr__(name)	Override to check the handle
__getattribute__	Return getattr(self, name).
__gt__	Return self>value.
__hash__	Return hash(self).
__init__(filename[, mode, comment])	Initialize self.
__init_subclass__	This method is called when a class is subclassed.
__iter__()	Iterator for file
__le__	Return self<=value.
__lt__	Return self<value.
__ne__	Return self!=value.
__new__	Create and return a new object.
__reduce__	Helper for pickle.
__reduce_ex__	Helper for pickle.
__repr__	Return repr(self).
__setattr__	Implement setattr(self, name, value).
__sizeof__	Size of object in memory, in bytes.
__str__()	Return a representation of the Sile
__subclasshook__	Abstract classes can override this to customize issubclass().
_base_file(f)	Make f refer to the file with the appropriate base directory
_base_setup(*args, **kwargs)	Setup the Sile after initialization
_open()
_read_geometry(sc, *args, **kwargs)	Defered routine
_read_geometry_centres(*args, **kwargs)	Defered routine
_read_hamiltonian(geom[, dtype])	Reads a Hamiltonian
_read_supercell()	Deferred routine
_set_file([suffix])	Update readed file
_setup(*args, **kwargs)	Setup winSileWannier90 after initialization
_write(*args, **kwargs)	Wrapper to default the write statements
_write_geometry(geom[, fmt])	Writes the geometry to the contained file
_write_supercell(sc[, fmt])	Writes the supercel to the contained file
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 supercell to the contained file

property base_file

File of the current Sile

dir_file(filename=None)

File of the current Sile

exist()

Query whether the file exists

property file

File of the current Sile

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_geometry(*args, **kwargs)

Reads a Geometry and creates the Wannier90 cell

read_hamiltonian(*args, **kwargs)

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.

read_supercell()

Reads a SuperCell and creates the Wannier90 cell

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.

write_geometry(geom, fmt='.8f', *args, **kwargs)

Writes the geometry to the contained file

write_supercell(sc, fmt='.8f', *args, **kwargs)

Writes the supercell to the contained file