sisl.io.siesta.onlysSileSiesta

class sisl.io.siesta.onlysSileSiesta(filename, mode='r', *args, **kwargs)

Bases: SileBinSiesta

Geometry and overlap matrix

Methods

base_directory([relative_to])

Retrieve the base directory of the file, relative to the path relative_to

dir_file([filename, filename_base])

File of the current Sile

read(*args, **kwargs)

Generic read method which should be overloaded in child-classes

read_fermi_level()

Query the Fermi-level contained in the file

read_geometry([atoms])

Returns Geometry object from a TranSiesta file

read_lattice()

Returns a Lattice object from a TranSiesta file

read_overlap(**kwargs)

Returns the overlap matrix from the TranSiesta file

write(*args, **kwargs)

Generic write method which should be overloaded in child-classes

base_file

File of the current Sile

file

File of the current Sile

plot

Handles all plotting possibilities for a class

version

The version of the file

__init__(filename, mode='r', *args, **kwargs)

Just to pass away the args and kwargs

base_directory(relative_to='.')

Retrieve the base directory of the file, relative to the path relative_to

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_fermi_level() float[source]

Query the Fermi-level contained in the file

Returns:

fermi-level of the system

Return type:

float

read_geometry(atoms: Atoms | Geometry | None = None)[source]

Returns Geometry object from a TranSiesta file

Parameters:

atoms (Optional[Union[Atoms, Geometry]])

read_lattice() Lattice[source]

Returns a Lattice object from a TranSiesta file

Return type:

Lattice

read_overlap(**kwargs) Overlap[source]

Returns the overlap matrix from the TranSiesta file

Return type:

Overlap

property version: int

The version of the file

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.