Cu, fcc metal, 4 shells. The list of atomic coordinates (ATOMS card) for crystals can be produced by program ATOMS. Thus instead of giving long atoms list, we present a short 'atoms.inp' file. For connection with EXAFS fitting programs see Section 3 and also the PRINT card on page 
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TITLE Cu crystal, 4 shells * Cu is fcc, lattice parameter a=3.61 (Kittel) *Cu at 190K, Debye temp 315K (Ashcroft & Mermin) DEBYE 190 315 0 POTENTIALS 0 29 Cu0 1 29 Cu ATOMS atoms list is generated using atoms.inp file below -------------------------------------------- title Cu metal fcc a=3.6032 fcc ! shorthand for F M 3 M rmax= 11.13 a=3.6032 out=feff.inp ! index=true geom = true atom ! At.type x y z Cu 0.0 0.0 0.0 --------------------------------------------