On Thursday 29 January 2009 08:00:32 am Eugenio Otal wrote:

Thanks for your time, the shift is between calculated and experiment. I attach two figures with and without correction, it matchs really good if I change 5.5eV the energy.

Eugenio, As Matt said, Feff does not always calculate absolute energy reliably, although John and his gang are certainly making good progress on that front. I think there is ample evidence, however, that Feff does a fine job on *relative* energy. You calculation appears to be suggestive of both of those points. I think you can, with confidence, shift the Feff calculation by a few volts and carry on. B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/