Hi everybody: It is the first time I send mail to this list. I wanna use OVERLAP of Feff8.4 to design a structure for my analysis, but the program give error message as followed:
Feff 8.40 OVERLAP: Expert option, please read documentation carefully and check your results. OVERLAP: Expert option, please read documentation carefully and check your results. My test for OVERLAP Absorbing atom coords not specified. Cannot find multiple scattering paths. RDINP STOP statement executed
in my feff.inp, I wrote like this: TITLE My test for OVERLAP * pot xsph fms paths genfmt ff2chi CONTROL 1 1 1 1 1 1 PRINT 0 0 0 0 0 0 POTENTIALS * ipot Z element * l_scmt l_fms stoichiometry 0 26 Fe 1 7 N OVERLAP 0 0 1 0.00 1 4 1.15 END Is there anyone give me some suggestion? Thanks! Lin Jun -- Shanghai Institute of Applied Physics, Chinese Academy of Sciences No. 2019, Baojia Road, Jiading District, Shanghai,China 201800