commands

Full name: ase2sprkkr.tools.commands

Description

Modules

config	Tool to configuration of ASE2SPRKKR
example	This command just show the path to the examples
info	Show known OutputFiles, description of InputParameters and so on.
k_path	GUI for specifiing BSF k-points PATH
nomad	This is a script to upload to NOMAD repository.
plot	Plotting the values in SPRKKR output files
run	This is a script to run calculation from commandline.
shell	Opening the ASE2SPRKKR output files and/or scripts in the shell or Jupyter notebook
show_structure	This is a script to visualise potential or in_struct.inp files.
uppasd	Convert SPRKKR output to UppASD input files and plots the computed Jij (experimental)