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From the equations $\dot q = p/m$ and $\dot p=V'(q)$ and the definition $Q=D(q)$ you can derive by differentiation $\dot Q=D'(q)p$ and $\ddot Q=D''(q)pp-D'(q)V'(q)$. The second equation produces an ODE for $Q$ if you can express $p$ in terms of $\dot Q$ up to terms in the null space of $D''(q)$ (i.e., translation and rotation degrees of freedom). This should ...


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In general, or as far as I'm aware, the band diagrams and Density of States shown in your question are electronic band structures. You can also see this from the graph's legend which shows that you're dealing with d and p orbitals belonging to W and S. However, looking at the numbers in your question, I can see where the confusion comes from. The direct ...



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