Dear

Feff group

I am Carlos Triana, and I want ask you the following.

I am trying to calculate the feff.inp file for a theoretical amorphous structure composed by a supercell with 24 Ti atoms surrounding by 48 oxygen atoms with different coordination. In amorphous materials or materials with distortions from regular crystals, the absorbing atoms may have different surroundings.

My question is how can I build the feff.inp file in this case, shall I define the 24 Ti atoms like absorbing atoms, because in this case the feff does not works. 

What can I do in this case, how can I build the feff.inp file with different environments

I will be very grateful for your help

Carlos Augusto Triana Estupiñan (C.A. Triana-E)
Physicist
M.Sc. In Physical Sciences-Research
PhD Student-Research
Ångströmlaboratoriet, Lägerhyddsv. 1
Solid State physics
Uppsala University, Box 534
751 21 Uppsala, Sweden
Tel: +46 018 471 3144
e-mail:carlos.triana@angstrom.uu.se
web:http://www.uu.se/