scf

Full name: ase2sprkkr.outputs.readers.scf

Module class hierarchy

Inheritance diagram of ase2sprkkr.outputs.readers.scf.RealOrStars, ase2sprkkr.outputs.readers.scf.ScfOutputReader, ase2sprkkr.outputs.readers.scf.ScfResult

Description

Classes

RealOrStars([prefix, postfix, format, ...])

A real value, where **** means NaN

ScfOutputReader(input_parameters, ...)

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

ScfResult(input_parameters, calculator, ...)

Objects of this class holds the results of computed SCF class