pwtools.eos.Vinet.deriv

Vinet.deriv(volume, params, der=None)

Calculate derivative of E(V) of order der. der=1 is the first deriv etc.

Parameters:

• volume (scalar, 1d array) – volume per atom [Ang^3]

• params (dict) – {‘e0’, ‘b0’, ‘b1’, ‘v0’} in eV, eV/Ang^3, 1, Ang^3

• der (int) – derivative order