tshsSileSiesta

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

Geometry, Hamiltonian and overlap matrix file

Attributes

base_file	File of the current Sile
file	File of the current Sile

Methods

__init__(filename[, mode])	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()	Returns Geometry object from a siesta.TSHS file
read_hamiltonian(**kwargs)	Returns the electronic structure from the siesta.TSHS file
read_overlap(**kwargs)	Returns the overlap matrix from the siesta.TSHS file
read_supercell()	Returns a SuperCell object from a siesta.TSHS file
write(*args, **kwargs)	Generic write method which should be overloaded in child-classes
write_hamiltonian(H, **kwargs)	Writes the Hamiltonian to a siesta.TSHS file

base_file

File of the current Sile

dir_file(filename=None)

File of the current Sile

exist()

Query whether the file exists

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()

Returns Geometry object from a siesta.TSHS file

read_hamiltonian(**kwargs)

Returns the electronic structure from the siesta.TSHS file

read_overlap(**kwargs)

Returns the overlap matrix from the siesta.TSHS file

read_supercell()

Returns a SuperCell object from a siesta.TSHS 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.

write_hamiltonian(H, **kwargs)

Writes the Hamiltonian to a siesta.TSHS file