defectformation

Full name: ase2sprkkr.asr.defectformation

Description

Defect formation energies.

Functions

check_and_get_general_inputs()

Determine whether all necessary files exist.

collect_data()

find_file_in_folder(filename, foldername)

Find a specific file in folder.

intersection(L1, L2)

Get intersection between two lines L1 and L2.

line(p1, p2)

Define a line between p1 and p2.

line_intersection(line1, line2)

Get intersection between two lines.

plot_formation_and_transitions(defect_dict, ...)

XXX: Do me.