Matt: I have been having problems with the FEFF6 that is distributed with Ifeffit. If I try to run the executable with the feff.inp the TEST directory, it gives the following output ---- copper Calculating potentials and phases... free atom potential and density for atom type 0 free atom potential and density for atom type 1 overlapped potential and density for unique potential 0 overlapped potential and density for unique potential 1 muffin tin radii and interstitial parameters phase shifts for unique potential 0 phase shifts for unique potential 1 Preparing plane wave scattering amplitudes... nncrit in prcrit 9 Searching for paths... Rmax 0.0000 keep and heap limits 0.0000000 0.0000000 Preparing neighbor table nfound nheap nheapx nsc r Internal path finder limit exceeded -- path list may be incomplete. Paths found 0 (nheapx, nbx 1 0) Eliminating path degeneracies... Plane wave chi amplitude filter 2.34% STOP no input statement executed ---- It only generates the 4 files: geom.dat paths.bin paths.dat phase.bin If I look at paths.dat, I see: ---- copper Rmax 0.0000, keep limit 0.000, heap limit 0.000 ^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@ Plane wave chi amplitude filter 2.34% ------------------------------------------------------------------------------- ---- I am a bit confused about this because when building the Debian package, everything compiles properly and all the libraries seem to be there properly. Any ideas? Carlo -- Carlo U. Segre -- Professor of Physics Associate Dean for Research, Armour College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 Carlo.Segre@iit.edu http://www.iit.edu/~segre
Hi Carlo, Yep, I get the same thing. It seems to be dying in pathsd.f... I don't see any changes since Oct 2002. I'm sure this worked once!! I'll look into it. --Matt
participants (2)
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Carlo U. Segre
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Matt Newville