Siri, Runs for me with Feff6L.02 I see: Feff 6L.02 name: vanadium pentoxide formula: V2O_5 sites: V1,O1,O2,O3 refer1: wyckoff Vol 2, Ch V, p 184 notes: shifted by (0.25,0.25,0) Calculating potentials and phases... free atom potential and density for atom type 0 free atom potential and density for atom type 1 free atom potential and density for atom type 2 overlapped potential and density for unique potential 0 overlapped potential and density for unique potential 1 overlapped potential and density for unique potential 2 muffin tin radii and interstitial parameters phase shifts for unique potential 0 Hard tests failed in fovrg. Muffin-tin radius may be too large; coordination number too small. phase shifts for unique potential 1 Hard tests failed in fovrg. Muffin-tin radius may be too large; coordination number too small. phase shifts for unique potential 2 Hard tests failed in fovrg. Muffin-tin radius may be too large; coordination number too small. Preparing plane wave scattering amplitudes... nncrit in prcrit 9 Searching for paths... Rmax 6.0000 keep and heap limits 0.0000000 0.0000000 Preparing neighbor table nfound nheap nheapx nsc r 1000 734 737 6 5.1542 2000 938 946 6 5.5456 On Wed, Jun 25, 2014 at 2:45 PM, Siri V wrote:

Dear Dr. Matt Newville,

Thank you for your quick reply and attention to my inquiry. I have

change the exchange card so that it has only 3 numbers: EXCHANGE 1 0 0.

Please find attached the input file, feff.inp.

To replicate my error, please:

- open this data file in Artemis 0.9.13 and - refer to Artemis [Feff] Atoms and Feff - click Run Feff

You should see the following error report:

Feff executable: C:\strawberry\c\bin\feff6.exe)

Feff 6.01l exchange exchange Token 0 Keyword unrecognized. See FEFF document -- some old features are no longer available. RDINP-2

What version of Feff is that? Anyone recognize that Feff 6.01l? --Matt