BsfResult

class ase2sprkkr.outputs.readers.bsf.BsfResult(input_parameters, calculator, directory, output_file=None, input_file=None)[source]

BSF result provides access to the computed Bloch spectral functions in the BSF output file using the bsf property.

Class hierarchy

Inheritance diagram of ase2sprkkr.outputs.readers.bsf.BsfResult

Constructor

__init__(input_parameters, calculator, directory, output_file=None, input_file=None)
property bsf_filename

New (output) potential file name

property bsf

The new (output) potential - that contains the converged charge density etc.