sisl.io.siesta.tsdeSileSiesta¶
- class sisl.io.siesta.tsdeSileSiesta(filename, mode='r', *args, **kwargs)¶
Bases:
sisl.io.siesta.dmSileSiesta
Non-equilibrium density matrix and energy density matrix file
Methods
dir_file
([filename, filename_base])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_density_matrix
(**kwargs)Returns the density matrix from the siesta.DM file
read_energy_density_matrix
(**kwargs)Returns the energy density matrix from the siesta.DM file
Query the Fermi-level contained in the file
write
(*args, **kwargs)Generic write method which should be overloaded in child-classes
write_density_matrices
(DM, EDM[, Ef])Writes the density matrix to a siesta.DM file
write_density_matrix
(DM, **kwargs)Writes the density matrix to a siesta.DM 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
- exist()¶
Query whether the file exists
- 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_density_matrix(**kwargs)¶
Returns the density matrix from the siesta.DM file
- read_energy_density_matrix(**kwargs)[source]¶
Returns the energy density matrix from the siesta.DM file
- read_fermi_level()[source]¶
Query the Fermi-level contained in the file
- Returns
Ef
- Return type
fermi-level of the system
- 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_density_matrices(DM, EDM, Ef=0.0, **kwargs)[source]¶
Writes the density matrix to a siesta.DM file
- Parameters
DM (DensityMatrix) – density matrix to write to the file
EDM (EnergyDensityMatrix) – energy density matrix to write to the file
Ef (float, optional) – fermi-level to be contained
- write_density_matrix(DM, **kwargs)¶
Writes the density matrix to a siesta.DM file