Hi Brandon,
I don't find this terribly surprising.
First, a little background which you may or may not know:
Reduced chi-square is a statistical parameter which requires a
knowledge of the uncertainty of the measurement to compute. In theory,
therefore, it knows that a good fit to noisy
Dear all,
I tried computing K-edge chi(k) for a solvated metal ion. For each
snapshot, I simply carved out a cluster of radius 6 Ang around the
metal.
1. if I set RMAX to say 5.5 in feff.inp, the chi(k) plot looks totally
different from the case where the RMAX line is commented out
(particularly
