Hi,<br>
I am trying to simulate the XANES spectra of erbium in a interstitial
site of ZnO, now I am looking for the changes if the erbium atom is not
in the center of the site.<br>
I done some simulations but I donīt get any change in the spectra with the distortion of the site. Is this possible?<br>
I attach the figure of the simulations and the inp files.<br>
Thanks, euG<br clear="all"><br>-- <br>