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]