BigDFT.DoS module
This module is used to display the Density of States (DoS).
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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
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curve
(xs, sigma, wgts=None)[source]
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peak
(omega, e, sigma)[source]
Define if a peak is a Gaussian or a Lorenzian (temporarily only the gaussian is defined)
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peaks
(xs, dos, norms, sigma)[source]
Return the array of the whole set of peaks
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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
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append
(energies, label=None, units='eV', norm=1.0)[source]
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append_from_bandarray
(bandarrays, label)[source]
Add a new band array to the previous DoS. Important for kpoints DOS
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append_from_dict
(evals, label)[source]
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conversion_factor
(units)[source]
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curve
(dos, norm, sigma=None)[source]
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dump
(sigma=None)[source]
For Gnuplot
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fermi_level
(fermi_level, units='eV')[source]
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get_ev
(ev, keys=None)[source]
Get the correct list of the energies for this eigenvalue
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plot
(sigma=None, legend=True, xlmin=None, xlmax=None, ylmin=None, ylmax=None)[source]
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update
(val)[source]