scf

Full name: ase2sprkkr.outputs.readers.scf

Module class hierarchy

Description

SCF (selfconsisten cycle) reader and result.

Functions

plot_iterations(iterations[, what, ...])

Classes

DataValue(name, value)
IterationValue(name, value, plot)
PlottableValue(*args[, is_required])
RealOrStars([prefix, postfix, format, ...])	A real value, where **** means NaN
ScfOutputParser([print_output, read_callback])	This class reads and parses the output of the SCF task of the SPR-KKR.
ScfOutputReader(input_parameters, ...[, ...])
ScfResult(input_parameters, calculator, ...)	Objects of this class holds the results of a self-consistent cycle and its iterations.