Hi Abhijeet, Sorry, I guess Cu2O is coordinated by 2 oxygen atoms and 12 cu atoms. If the cluster of atoms that you give to FEFF doesn't match the structure of the sample then the fit will not work. But I think that your structure isn't obviously wrong. Cheers, Shelly Hi Madam Thanks for youe response. Actually, I had tried the fitting by taking the data of Cu2O from the database, but still there are same problem like low SO2, negative SS2, high energy shift delE. If you can please suggest me a paper in which the fitting results of Cu2O and CuO are published, I can compare my results with the published results. I just want to make it clear that where I am going wrong. Also, I am sorry to all members of mailing list for asking the same problem again and again. With thanks Abhijeet Gaur