pwtools.eos.EVFunction.evaluate

EVFunction.evaluate(volume, params)

Evaluate function for x-axis volume.

Parameters:

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

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