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BigDFT.DoS module

This module is used to display the Density of States (DoS).

class BigDFT.DoS.DiracSuperposition(dos, wgts=[1.0])[source]

Defines as superposition of Dirac deltas which can be used to plot the density of states

curve(xs, sigma, wgts=None)[source]
peak(omega, e, sigma)[source]

Define if a peak is a Gaussian or a Lorenzian (temporarily only the gaussian is defined)

peaks(xs, dos, norms, sigma)[source]

Return the array of the whole set of peaks

class BigDFT.DoS.DoS(bandarrays=None, energies=None, evals=None, units='eV', label='1', sigma=0.007349865079592464, npts=2500, fermi_level=None, norm=1.0, sdos=None)[source]

Definition of the density of state class

append(energies, label=None, units='eV', norm=1.0)[source]
append_from_bandarray(bandarrays, label)[source]

Add a new band array to the previous DoS. Important for kpoints DOS

append_from_dict(evals, label)[source]
conversion_factor(units)[source]
curve(dos, norm, sigma=None)[source]
dump(sigma=None)[source]

For Gnuplot

fermi_level(fermi_level, units='eV')[source]
get_ev(ev, keys=None)[source]

Get the correct list of the energies for this eigenvalue

plot(sigma=None, legend=True, xlmin=None, xlmax=None, ylmin=None, ylmax=None)[source]
update(val)[source]