Dear all,
Can an experienced user kindly explain how to obtain the phase shift
correction to the radial distance corresponding to FFT(chi(k)). From my
chi(k) computation, I have several feff*.dat files (feff0001.dat,
feff0002.dat,...,feff00128.dat) because I have 128 paths. How
do I us
Francisco,
The feff.dat file tells you the interatomic distance used in the
file in the header right below the line of dashes.
Feff explains the contents of the feff.dat files here:
http://leonardo.phys.washington.edu/feff/wiki/index.php?title=FEFF_Variables
and here:
http://le
