sisl.io.siesta.tshsSileSiesta
- class sisl.io.siesta.tshsSileSiesta(filename, mode='r', *args, **kwargs)
Bases:
sisl.io.siesta.onlysSileSiestaGeometry, Hamiltonian and overlap matrix file
Methods
dir_file([filename, filename_base])File of the current Sile
read(*args, **kwargs)Generic read method which should be overloaded in child-classes
Query the Fermi-level contained in the file
read_geometry([geometry])Returns Geometry object from a TranSiesta file
read_hamiltonian(**kwargs)Returns the electronic structure from the siesta.TSHS file
read_overlap(**kwargs)Returns the overlap matrix from the TranSiesta file
Returns a SuperCell object from a TranSiesta 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
File of the current Sile
File of the current Sile
- __init__(filename, mode='r', *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
- 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**kwargsas arguments.
- read_fermi_level()
Query the Fermi-level contained in the file
- Returns
Ef
- Return type
fermi-level of the system
- read_geometry(geometry=None)
Returns Geometry object from a TranSiesta file
- read_overlap(**kwargs)
Returns the overlap matrix from the TranSiesta file
- read_supercell()
Returns a SuperCell object from a TranSiesta 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
**kwargsas arguments.