Hi Deok-Yong, I was really hoping that someone from the Feff project would respond to this. I certainly agree that column 4 seems to be reported inconsistently with columns 5 and 6. So you are correct that there seems to be a problem with feff8. I don't do a lot of XANES calculations these days and it has been several years since I contributed directly to Feff. So I am not really in a position to resolve your problem. Hopefully one of the Seattle folk will look into this.... B

Dear Ifeffit users:

Hello, I have a simple question regarding the 'chi' in the xmu.dat, an output file of FEFF8. I wish I could get helps from you to resolve this.

As far as I know... in the xmu.dat file from Feff6, mu=mu0*(1+'chi') as it should be, but in the xmu.dat file from Feff 8, the 'chi' written in the xmu.dat is a rescaled one by mu0/(mu0 at edge+tens eV) so that mu should be equal to mu0+'chi'.

I checked up for FEFF8.4 by turning on and off the FMS card, and found that with the FMS card, mu = mu0+'chi', while without the FMS card, mu is quite close to or same as mu0*(1+'chi') instead of mu0+'chi'.

Please help me to find which one is correct. Attached are the Feff.inp and the resultant xmu.dat for ZnO.

Thank you all.

Best Regards, Deok-Yong Cho Post-doctoral researcher at RWTH Aachen, Germany * _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

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