[Ifeffit] Re :Fitting result
dr.sdkelly at gmail.com
Thu Jan 21 13:02:05 CST 2010
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.
On Thu, Jan 21, 2010 at 12:36 PM, Abhijeet Gaur <abhijeetgaur9 at gmail.com> wrote:
>> Hi Abhijeet,
>> I think that there is a problem with you structure for Cu2O. Each Cu
>> atoms must be coordinated by more than just two O atoms in the first
>> Hi Madam,
> Is there any problem with the theoretical structure that I generated in
> Artemis or my experimental data???, I am not getting it.
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
More information about the Ifeffit