[Ifeffit] NLEG

[Eugenio Otal]

Hi,
I am performing some XANES simulation with feff. I want to know somethings
about an extra shoulder so I am using NLEG card. I have no problem with NLEG
= 1 - 3, but NLEG > 3, I found a error:

Eliminating path degeneracies...
    Plane wave chi amplitude filter   2.50%
 WARNING!!  Two non-degenerate paths, hashed to the same hash key!!
   0.12036490409027290344E+09  0.12042092980933572352E+09
          3         3  npat0, npat
 iat, ipot0, ipot, ipat0, ipat
         1         1         1         2         2
         2         0         0         0         0
         3         1         1         2         1
 ileg, rx0,ry0,rz0,  rx1,ry1,rz1
     1  0.0000000000E+00 -1.3877787808E-16
     1  0.0000000000E+00  0.0000000000E+00
     1  1.9402260780E+00  1.9402260780E+00
     2  0.0000000000E+00  0.0000000000E+00
     2  0.0000000000E+00  0.0000000000E+00
     2  0.0000000000E+00  0.0000000000E+00
     3  0.0000000000E+00  1.7760854959E+00
     3  0.0000000000E+00  0.0000000000E+00
     3  1.9402260780E+00 -7.8094518185E-01
hash error

that is what I found in output file and the simulation crashed. Is there
somehow to solve this and continue the job?
Thanks in advanced, euG
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