Re: [Ifeffit] Converting PDF files to CIF files for usage in Artemis

It is even pretty easy in the old Artemis. No need to load data just start from Theory and make a new Atoms input file then use the Theory menu to Write Special Output. Carlo On Tue, 9 Aug 2016, Matthew Marcus wrote: Oh, the Demeter menu. I was looking in Artemis itself. Thanks!

Re: [Ifeffit] Converting PDF files to CIF files for usage in Artemis

Oh, the Demeter menu. I was looking in Artemis itself. Thanks! mam On 8/9/2016 11:07 AM, Bruce Ravel wrote: On 08/09/2016 01:50 PM, Matthew Marcus wrote: This actually results in a bit of inconvenience - if you want to use ATOMS, you have to load some data into Artemis and pretend

Re: [Ifeffit] Converting PDF files to CIF files for usage in Artemis

On 08/09/2016 01:50 PM, Matthew Marcus wrote: This actually results in a bit of inconvenience - if you want to use ATOMS, you have to load some data into Artemis and pretend you want to analyze it. There is a "Stand-alone Atoms" item in the frickin' Start Menu. How does that constitute an

Re: [Ifeffit] Converting PDF files to CIF files for usage in Artemis

This actually results in a bit of inconvenience - if you want to use ATOMS, you have to load some data into Artemis and pretend you want to analyze it. Another thing for a newbie to beware of - if you have inequivalent sites for your absorbing atom, you have to run ATOMS and FEFF separately

Re: [Ifeffit] Converting PDF files to CIF files for usage in Artemis

Hi Ed, In case it’s not clear, ATOMS is built in to Artemis. (Long, long ago ATOMS was a separate program, so many people still refer to that functionality of Artemis by that name.) —Scott Calvin Sarah Lawrence College > On Aug 9, 2016, at 12:40 PM, Matthew Marcus wrote: >

Re: [Ifeffit] Converting PDF files to CIF files for usage in Artemis

There are two different input files which take the extension .inp. One is the feff.inp file, which is the input to FEFF and contains a list of coordinates (Cartesian, not crystallographic) of all atoms surrounding an absorpber atom out to a certain distance. ATOMS produces this. The other is

Re: [Ifeffit] Converting PDF files to CIF files for usage in Artemis

I see. Thank you for the insight! Is it possible to create the same .inp or .cif file in FEFF6 (or any of the FEFF versions) as well? Or is the ATOMS program the most recommended software to perform this task? Regards, Ed Han On Mon, Aug 8, 2016 at 5:12 PM, Carlo Segre wrote: