v0.6.1

• Bug fixes:

  • The scaling of S(Q,w) as produced by StructureFactor.calculate_sqw_map
    was incorrect, and did not correctly scale with energy bin size (given its
    units are now length**2/energy). This has been fixed, and S(Q,w) scale
    has changed by a factor of (hartee to energy bin unit conversion)/(energy
    bin width magnitude). e.g. if using an energy bin width of 0.1 meV, the new
    S(Q,w) will be scaled by 2.72e4/0.1 = 2.72e5. The original structure factors
    can now be correctly recovered by multiplying S(Q,w) by the energy bin width.