Consider strategies for identifying and accelerating convergence of S(q, ω) with respect to the number of q bins and the number of samples at each surface.
Should/can we use adaptive sampling to focus on the more difficult areas of the phonon band structure?
Can we develop an automatic convergence procedure to improve the user experience?
How accurate/reliable are the results from "typical" settings compared to a fully-converged limit?
Significant developments in this area could merit an academic publication in their own right, so it would be worth doing a decent literature review first.
Depends on #85
Consider strategies for identifying and accelerating convergence of S(q, ω) with respect to the number of q bins and the number of samples at each surface.
Significant developments in this area could merit an academic publication in their own right, so it would be worth doing a decent literature review first.