[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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