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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