pdos

Full name: ase2sprkkr.asr.pdos

Module class hierarchy

Inheritance diagram of ase2sprkkr.asr.pdos.Result

Description

Projected density of states.

Functions

calculate_pdos(dos, calc)

Calculate the projected density of states.

get_l_a(zs)

Define which atoms and angular momentum to project onto.

get_ordered_syl_dict(dct_syl, symbols)

Order a dictionary with syl keys.

get_yl_colors(dct_syl)

Get the color indices corresponding to each symbol and angular momentum.

pdos(dos, calc)

Do a single pdos calculation.

plot_pdos(row, filename[, soc, figsize, lw])

plot_pdos_nosoc(*args, **kwargs)

plot_pdos_soc(*args, **kwargs)

webpanel(result, row, key_descriptions)

Classes

Result(dos_at_ef_nosoc, pdos_nosoc, ...)