get_ados(self, **kwargs)
attempt at maintaining backward compatibility with get_ados
returning data

Now when we call calc.get_ados() it will return settings,  and calc.get_ados(atoms=[],...) should return data

get_ados_data(self, atoms, orbitals, cutoff, spin)
get atom projected data

:Parameters:

atoms
list of atom indices (integers)

orbitals
list of strings
['s','p','d'],
['px','py','pz']
['d_zz', 'dxx-yy', 'd_xy', 'd_xz', 'd_yz']

cutoff : string
cutoff radius you want the results for 'short' or 'infinite'

spin
: list of integers
spin you want the results for [0] or [1] or [0,1] for both

returns (egrid, ados)
egrid has the fermi level at 0 eV

set_ados(self, energywindow=(-15, 5), energywidth=0.2, npoints=250, cutoff=1.0)
setup calculation of atom-projected density of states

:Parameters:

energywindow : (float, float)
sets (emin,emax) in eV referenced to the Fermi level

energywidth : float
the gaussian used in smearing

npoints : integer
the number of points to sample the DOS at

cutoff : float
the cutoff radius in angstroms for the integration.