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

arpes	ARPES task input parameters definition
bsfek	DOS task input parameters definition
bsfkk	bsfkk task input parameters definition
dos	DOS task input parameters definition
gilbert	Gilbert task input parameters definition
jxc	JXC task input parameters definition
phagen	PHAGEN task input parameters definition
scf	SCF task input parameters definition
sections	Definitions of sections to be used in definitions of input parameters (input files for SPR-KKR tasks)
torque	Torque task input parameters definition
xas	XAS task input parameters definition
marpes	Description of the sections and parameters