pwtools.thermo.debye_func

pwtools.thermo.debye_func(x, nstep=100, zero=1e-08)

Debye function

\(f(x) = 3 \int_0^1 t^3 / [\exp(t x) - 1] dt\)

Parameters:

• x (float or 1d array)

• nstep (int) – number of points for integration

• zero (float) – approximate the 0 in the integral by this (small!) number