Dear feffusers, I have been trying to output the lDOS for Cu metal using feff8.2. However the results seem to be unreliable given that my chi and xmu data deviate substantially from the published results (Rehr et al, 1992, Phys. Rev. Lett. 69, 3397). Without the SCF and FMS cards and using the MS path expansion, I am able to reproduce the published data easily. Attached is the feff input file I used to calculate the lDOS. Since my ultimate goal is to output an accurate lDOS for Copper I would like to keep the SCF, FMS cards. Any suggestions on what card parameters to tweak or whether I am completely missing something? Thanks so much. Sincerely, Jerome Graduate Research Student Dept. of Physics Cornell Unviersity 607-255-0654
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