Scale is off for DebyeCalculator - using argon test data

Currently, seeing these issues with S(Q) from code in repo using DebyeCalculator.

Issues:

• Scale is off
• Qmin is off (not the correct isothermal compressibility of argon)
• Qmax is off (not the correct limit of 1)

I suspect it is that the compute_sq is missing the Laue term here, maybe?

• https://github.com/FrederikLizakJohansen/DebyeCalculator/blob/main/debyecalculator/debye_calculator.py#L699