ScfOutputReader

class ase2sprkkr.outputs.readers.scf.ScfOutputReader(input_parameters, calculator, directory, *args, **kwargs)[source]

This class reads and parses the output of the SCF task of the SPR-KKR.

Class hierarchy

Inheritance diagram of ase2sprkkr.outputs.readers.scf.ScfOutputReader

Constructor

__init__(input_parameters, calculator, directory, *args, **kwargs)

atoms_conf_type = <ase2sprkkr.outputs.output_definitions.OutputSectionDefinition object>

async read_output(stdout)[source]

result_class: alias of ScfResult