[Ifeffit] Problems with GeO2

Hello, my name is Andreas Schacht and I am working with germanium and germanium oxides in my diploma thesis. Therefore I was trying to simulate the XANES spectra of both with feff. The results for germanium seem to be very good in comparison to the experimental data but the simulated spectra of GeO2 in the alpha-quartz structure is far away from all the experimental spectra I have seen. So I was wondering if someone has some experience with calculating the XANES spectra of germanium oxides. Thanks for any help. Best regards Andreas -- Using Opera's revolutionary e-mail client: http://www.opera.com/mail/