Hi,<br>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 &gt; 3, I found a error:<br><br>Eliminating path degeneracies...<br>
    Plane wave chi amplitude filter   2.50%<br> WARNING!!  Two non-degenerate paths, hashed to the same hash key!!<br>   0.12036490409027290344E+09  0.12042092980933572352E+09<br>          3         3  npat0, npat<br> iat, ipot0, ipot, ipat0, ipat<br>
         1         1         1         2         2<br>         2         0         0         0         0<br>         3         1         1         2         1<br> ileg, rx0,ry0,rz0,  rx1,ry1,rz1<br>     1  0.0000000000E+00 -1.3877787808E-16<br>
     1  0.0000000000E+00  0.0000000000E+00<br>     1  1.9402260780E+00  1.9402260780E+00<br>     2  0.0000000000E+00  0.0000000000E+00<br>     2  0.0000000000E+00  0.0000000000E+00<br>     2  0.0000000000E+00  0.0000000000E+00<br>
     3  0.0000000000E+00  1.7760854959E+00<br>     3  0.0000000000E+00  0.0000000000E+00<br>     3  1.9402260780E+00 -7.8094518185E-01<br>hash error<br><br>that is what I found in output file and the simulation crashed. Is there somehow to solve this and continue the job?<br>
Thanks in advanced, euG<br><br><br><br>