definitions

Full name: ase2sprkkr.input_parameters.definitions

Description

sprkkr.input_parameters.definitions - definitions of InputParameterss: definition of configurtion options and their default values for SPR-KKR input_parameters.

Each contained module should have input_parameters attribute, that holds the definition of a task. The modules should be named according to the name of the contained task (e.g. DOS, ARPES, SCF, …)

Modules

ase2sprkkr.input_parameters.definitions.arpes	ARPES task input parameters definition
ase2sprkkr.input_parameters.definitions.dos	DOS task input parameters definition
ase2sprkkr.input_parameters.definitions.phagen	PHAGEN task input parameters definition
ase2sprkkr.input_parameters.definitions.scf	SCF task input parameters definition
ase2sprkkr.input_parameters.definitions.sections	Definitions of sections to be used in definitions of input parameters (input files for SPR-KKR tasks)