On 12/16/2016 12:55 PM, Raj kumar wrote:
Thanks for the explanation. Yes, both files are generating the same kind
of output but the positioning of atoms can mislead in the context of
structure. That's why i have raised the question.
Hi Raj,
But they are /the/ /same/ structure, so they give the
rmore, all atoms (except few) are represented with three coordinated
> position for Demeter generated file instead of two coordinated position.
>
> I already posted this query in the ifeffit mailing domain but the message
> was not get circulated. Hence, I writing this problem to
On 12/16/2016 10:34 AM, Raj kumar wrote:
Recently, i found out that feff.inp generated by web atoms and Demeter
0.9.26 are not the same. My main worry is in the position of atoms. For
evidence, i am attaching YbVO4 (*feff.inp*) files generated by both web
atoms and Demeter. With this kind of zirc
Dear All,
Recently, i found out that feff.inp generated by web atoms and Demeter
0.9.26 are not the same. My main worry is in the position of atoms. For
evidence, i am attaching YbVO4 (*feff.inp*) files generated by both web
atoms and Demeter. With this kind of zircon type structure, one would
exc
