Dear Prof.Blaha;
Thank you for your valuable guidlines.
I was going to use the c(G) coefficients in case.output1 but according to your
explanation, I understood I cannot use the G-Stars set for this purpose (using
symmetry).
In order to extract the complete list of c(G) coefficients, you said e
You can use c(G) from output1 (limited accuracy!!) or case.vector.
In the general case, you will not have any symmetry, so forget "stars"
(assume you have only the identity symm.op.)
In any case your
M_mn interstitial(k1,k2)== sigma_ij{c*_m,k1(Gi) *
theta(Gi-Gj) * c_n,k2(Gj)}
is something l
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