[Wien] setrmt_lapw #5

I could be wrong, but something doesn't seem right. Can someone help clarify how the equations relate to the code? It was previously given that: V(r) = 1/vol sum_K (c_K exp (iKr) )(2) exp (iKr) = 4 pi sum_LM (i**L j_L(Kr) Y_LM(K) * Y_LM(r)(3) Combining (2) and (3), V(r) =

[Wien] way to confirm stable/transition structures

Hi, thank you for the detailed explanations. this is always the case which are well known although often omitted in simple textbooks. I am 99.8% certain that MSR1a will also not be trapped in a saddle point although there is currently no analytic proof of this. I agreed, it was a help to

[Wien] Need Help In BoltzTrap Code

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[Wien] setrmt_lapw #5

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