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.. module:: ase.dft.dos
:synopsis: Density of states
=================
Density of states
=================
Example::
calc = ...
dos = DOS(calc, width=0.2)
d = dos.get_dos()
e = dos.get_energies()
You can plot the result like this::
import matplotlib.pyplot as plt
plt.plot(e, d)
plt.xlabel('energy [eV]')
plt.ylabel('DOS')
plt.show()
.. image:: dos.png
Calculations involving moments of a DOS distribution may be
facilitated by the use of :func:`~ase.dft.get_distribution_moment`
method, as in the following example::
from ase.dft import get_distribution_moment
volume = get_distribution_moment(e,d)
center, width = get_distribution_moment(e,d,(1,2))
More details
------------
.. autoclass:: DOS
:members: get_energies, get_dos
.. autofunction:: linear_tetrahedron_integration
.. autofunction:: ase.dft.get_distribution_moment
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