Skip to main content
`Ctrl`+`K`

#

# Source code for ase.dft

    import numpy as np
    from scipy.integrate import trapezoid

    from ase.dft.dos import DOS
    from ase.dft.kpoints import monkhorst_pack

    __all__ = ['DOS', 'monkhorst_pack']

    def get_distribution_moment(x, y, order=0):
        """Return the moment of nth order of distribution.

        1st and 2nd order moments of a band correspond to the band's
        center and width respectively.

        For integration, the trapezoid rule is used.
        """

        x = np.asarray(x)
        y = np.asarray(y)

        if order == 0:
            return trapezoid(y, x)
        elif isinstance(order, int):
            return trapezoid(x**order * y, x) / trapezoid(y, x)
        elif hasattr(order, '__iter__'):
            return [get_distribution_moment(x, y, n) for n in order]
        else:
            raise ValueError(f'Illegal order: {order}')