Re: [Ifeffit] Error using Atoms

2017-06-08 Thread Robert Gordon
Hi Adam, I opened the cif file you provided and Artemis/Atoms immediately gave the atoms.inp file attached. Running Atoms gave the feff.inpI don't see a problem. Could you provide more detail on how you achieved this erroneous result? i.e. step by step... e.g. I opened Artemis v0.9.25 I click

[Ifeffit] Error using Atoms

2017-06-08 Thread Clark, Adam
Dear Mailing List I have encountered an issue when using the version of Atoms within Artemis for the calculation of the scattering paths on metallic FCC systems. Attached are both the cif file and the generated feff.inp file from using Atoms from within Artemis. Here the problem that occurs is