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

DOS 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)

marpes

Description of the sections and parameters