[Wien] aim in CXY

[L. D. Marks]

Has anyone had problems with aim for a CXZ cell (code without the recent 
CXZ correction). I have a very large number of the "Errors" below (with a 
final crash with NSTEP > maxfo11 which I think I know about).

Numerous cases of the following occur
  Reduction failed (wrong symmetry oper) r-reduc > rmt          17
    7.50327866049620        1.60000000000000        7.43279230876049
    11.8083563213619        8.44770156885564       0.975599463065190
   -6.88264502205209       -2.82428643114436
  Error in reducing vector  0.000000000000000E+000  0.000000000000000E+000
   0.000000000000000E+000
  Original vector   7.43279230876049        11.8083563213619
    8.44770156885564
  Original vector hex coord  0.424645235000000       0.165107230000000
   0.749442030000000
  REDUCTION FAILED !!           1   7.43279230876049 
11.8083563213619
    8.44770156885564        1.69695118937834       0.000000000000000E+000
   0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
   0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
   0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
   0.000000000000000E+000  0.000000000000000E+000


Note: if you have an old email address for me, please note that "nwu" has
been changed to "northwestern".
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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu
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