[Ifeffit] FEFF6 errors?
Carlo U. Segre
segre at iit.edu
Thu May 15 09:36:09 CDT 2003
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 at iit.edu http://www.iit.edu/~segre
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