deltancSileTBtrans

class sisl.io.tbtrans.deltancSileTBtrans(filename, mode='r', lvl=0, access=1, _open=True)

TBtrans delta file object

The \(\delta\) file object is an extension enabled in TBtrans which enables changing the Hamiltonian in transport problems.

Its main functionality is in the change of Hamiltonian via either \(\delta H\) or \(\delta \Sigma\) terms:

\[\mathbf H'(\mathbf k) = \mathbf H(\mathbf k) + \delta\mathbf H + \delta\mathbf\Sigma\]

Attributes

file	Filename of the current Sile

Methods

__init__(filename[, mode, lvl, access, _open])	Creates/Opens a SileCDF
close()
exist()	Query whether the file exists
isDataset(obj)	Return true if obj is an instance of the NetCDF4 Dataset type
isDimension(obj)	Return true if obj is an instance of the NetCDF4 Dimension type
isGroup(obj)	Return true if obj is an instance of the NetCDF4 Group type
isRoot(obj)	Return true if obj is an instance of the NetCDF4 Dataset type
isVariable(obj)	Return true if obj is an instance of the NetCDF4 Variable type
iter([group, dimension, variable, levels, root])	Iterator on all groups, variables and dimensions.
read(*args, **kwargs)	Generic read method which should be overloaded in child-classes
read_delta(**kwargs)	Reads a delta model from the file
read_geometry(*args, **kwargs)	Returns the Geometry object from this file
read_supercell()	Returns the SuperCell object from this file
write(*args, **kwargs)	Generic write method which should be overloaded in child-classes
write_delta(delta, **kwargs)	Writes a \(\delta\) term
write_geometry(geom)	Creates the NetCDF file and writes the geometry information
write_supercell(sc)	Creates the NetCDF file and writes the supercell information

close()

exist()

Query whether the file exists

file

Filename of the current Sile

isDataset(obj)

Return true if obj is an instance of the NetCDF4 Dataset type

This is just a wrapper for isinstance(obj, netCDF4.Dataset).

isDimension(obj)

Return true if obj is an instance of the NetCDF4 Dimension type

This is just a wrapper for isinstance(obj, netCDF4.Dimension).

isGroup(obj)

Return true if obj is an instance of the NetCDF4 Group type

This is just a wrapper for isinstance(obj, netCDF4.Group).

isRoot(obj)

Return true if obj is an instance of the NetCDF4 Dataset type

This is just a wrapper for isinstance(obj, netCDF4.Dataset).

isVariable(obj)

Return true if obj is an instance of the NetCDF4 Variable type

This is just a wrapper for isinstance(obj, netCDF4.Variable).

iter(group=True, dimension=True, variable=True, levels=-1, root=None)

Iterator on all groups, variables and dimensions.

This iterator iterates through all groups, variables and dimensions in the Dataset

The generator sequence will _always_ be:

1. Group
2. Dimensions in group
3. Variables in group

As the dimensions are generated before the variables it is possible to copy groups, dimensions, and then variables such that one always ensures correct dependencies in the generation of a new SileCDF.

Parameters:

group : bool (True)

whether the iterator yields Group instances

dimension : bool (True)

whether the iterator yields Dimension instances

variable : bool (True)

whether the iterator yields Variable instances

levels : int (-1)

number of levels to traverse, with respect to root variable, i.e. number of sub-groups this iterator will return.

root : str (None)

the base root to start iterating from.

Examples

Script for looping and checking each instance.

>>> for gv in self.iter(): 
...     if self.isGroup(gv): 
...         # is group 
...     elif self.isDimension(gv): 
...         # is dimension 
...     elif self.isVariable(gv): 
...         # is variable 

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_delta(**kwargs)

Reads a delta model from the file

read_geometry(*args, **kwargs)

Returns the Geometry object from this file

read_supercell()

Returns the SuperCell object from this 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_delta(delta, **kwargs)

Writes a \(\delta\) term

This term may be of

• level-1: no E or k dependence
• level-2: k-dependent
• level-3: E-dependent
• level-4: k- and E-dependent

Parameters:

delta : SparseOrbitalBZSpin

the model to be saved in the NC file

k : array_like, optional

a specific k-point \(\delta\) term. I.e. only save the \(\delta\) term for the given k-point. May be combined with E for a specific k and energy point.

E : float, optional

a specific energy-point \(\delta\) term. I.e. only save the \(\delta\) term for the given energy. May be combined with k for a specific k and energy point.

write_geometry(geom)

Creates the NetCDF file and writes the geometry information

write_supercell(sc)

Creates the NetCDF file and writes the supercell information