[Wien] (no subject)

Shu Miao shu at its.caltech.edu
Mon Dec 27 02:05:26 CET 2004


Dear users,
I got a fitting problem in optimization. The eplot_lapw has a fitting
function i.e. Murnaghan to find out the equilibrium volume. However, I
cannot find the fitting function for c/a optimization. Should I just use a
arbitrary function, e.g., 2-order polynormial, to get the best c/a?

Thanks and happy new year

Shu Miao




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