Dear All,
I am trying to run a FEFF calculations on a quaternary glass , when I import crystalline data obtained from ICSD website and try to run FEFF to calculate the scattering paths of nearest neighbour atoms relative to absorbing atom, I get an error message that says
" generate one or more common positions and their occupancies sum to more than 1".
I don't know how to go about this, any help , I will appreciate.
Thanks.