Re: [Ifeffit] Ifeffit Digest, Vol 167, Issue 2

2017-01-03 Thread Bruce Ravel
On 01/03/2017 03:32 PM, Raj kumar wrote: From XRD, it is confirmed that there is no side phase formation and contamination. Hence, i guess the heavier element role could be avoided here. Raj, While this might be true for your sample, in general, a statement like this always concerns me.

Re: [Ifeffit] Problem with large so2

2017-01-03 Thread Scott Calvin
Hi Raj, I haven’t looked at your files, but the kinds of results you are describing often indicate the model you are using beyond the first shell is incorrect. It may be that it has the wrong elements (e.g., heavier elements are present than what you modelled) or that the model includes split