sisl.io.siesta.orbindxSileSiesta

class sisl.io.siesta.orbindxSileSiesta(filename, *args, **kwargs)

Bases: SileSiesta

Orbital information file

Methods

base_directory([relative_to])	Retrieve the base directory of the file, relative to the path relative_to
close()
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([basis])	Returns a set of atoms corresponding to the basis-sets in the ORB_INDX file
read_lattice_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', *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

close()

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(basis: Atoms | None = None) → Atoms

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:

basis (Atoms | None) – list of atoms used for the species index

Return type:

Atoms

read_lattice_nsc()

Reads the supercell number of supercell information

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.