permutation not found

Daniel Boese adb34 at hermes.cam.ac.uk
Tue May 15 14:56:00 BST 2001


Hi,
I am getting the following error message:
 Permutation not found: symmetry= 1   i= 14   label=3d2-
 bflab:
         13d0    13d2+   13d1-   13d0    13d2+   13d1-   21s     21s
21s
 21s     22py    22pz    22py    22pz    22py    22pz    23d0    23d2+
23d1-
 23d0    23d2+   23d1-   31s     31s     31s     32py    32pz    32py
32pz
 41s     41s     41s     42py    42pz    42py    42pz    51s     51s
51s
 52py    52pz            52py    52pz            71s     71s     71s
72py
 72pz            72py    72pz    72px

 ERROR EXIT
Can someone help me what causes this problem? I thought it was an error
where I just had to rotate the geometry- but this doesn't seem to help
either :(...
Thanks,
Daniel Boese




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