Hi,
does your proceeding make sense for XANES calculations, too? For example
for an atom-cluster with some sulfur absorber?
best regards,
Eckhard
Hi Bindu:
On Fri, 29 Feb 2008, Bindu R. wrote:
Could you please tell me if there is an option to do the EXAFS fitting
for a compound having
As is often the case, the FAQ may help.
Look at question 14 at http://cars9.uchicago.edu/iffwiki/FAQ/FeffitModeling
B
On Friday 29 February 2008 00:06:28 Bindu R. wrote:
Dear Bruce,
Could you please tell me if there is an option to do the EXAFS fitting for
a compound having the absorbing
Bindu,
I'm sorry. I misread your question. Carlo's answer is much more to
the point than mine was.
B
On Friday 29 February 2008 00:06:28 Bindu R. wrote:
Dear Bruce,
Could you please tell me if there is an option to do the EXAFS fitting for
a compound having the absorbing atoms at two
Hi Eckhard:
On Fri, 29 Feb 2008, [EMAIL PROTECTED] wrote:
Hi,
does your proceeding make sense for XANES calculations, too? For example
for an atom-cluster with some sulfur absorber?
best regards,
Eckhard
Yes, you can do this for XANES calculations too. The outputs need to
be summed
Hi,
my normal proceeding is (for example Na_2 SO_4) to calculate with an
atom-cluster of this substance with lots of atoms an lots of sulfur. I
chose one as the absorber and make one single feff-run. But when i do this
for all sulfur atoms consecutively (because in experiment every sulfur
absorbs
Hi Eckhard:
On Fri, 29 Feb 2008, [EMAIL PROTECTED] wrote:
Hi,
my normal proceeding is (for example Na_2 SO_4) to calculate with an
atom-cluster of this substance with lots of atoms an lots of sulfur. I
chose one as the absorber and make one single feff-run. But when i do this
for all
