sisl.io.siesta.orbindxSileSiesta

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

Bases: SileSiesta

Orbital information 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

read_basis([atoms])

Returns a set of atoms corresponding to the basis-sets in the ORB_INDX file

read_supercell_nsc()

Reads the supercell number of supercell information

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

__init__(filename, mode='r', comment=None, *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 **kwargs as arguments.

read_basis(atoms=None)[source]

Returns a set of atoms corresponding to the basis-sets in the ORB_INDX file

The specie names have a short field in the ORB_INDX file, hence the name may not necessarily be the same as provided in the species block

Parameters

atoms (Atoms, optional) – list of atoms used for the species index

read_supercell_nsc()[source]

Reads the supercell number of supercell information

to_json()
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.