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DLC Scan: "Severe error: singular angular variable!"

Talipov Marat R.
talipovmr@anrb.ru


I receive "Severe error: singular angular variable!" message when I try to scan bond lendth. Input coords are in XYZ format, internal coords are succesfully generated by DLC procedure. This case is reproduced even with EXETYP=check.

          ** GEOMETRY CONSTRAINTS ARE BEING APPLIED. **

         TRANSFORMING DISPLACEMENT FROM INTERNALS TO CARTESIANS
         THE ROOT MEAN SQUARE ERROR IN ITERATION   1 IS   0.15283985
         THE ROOT MEAN SQUARE ERROR IN ITERATION   2 IS   0.07672415
         THE ROOT MEAN SQUARE ERROR IN ITERATION   3 IS   0.03839302
         THE ROOT MEAN SQUARE ERROR IN ITERATION   4 IS   0.01919908
         THE ROOT MEAN SQUARE ERROR IN ITERATION   5 IS   0.00960005
         THE ROOT MEAN SQUARE ERROR IN ITERATION   6 IS   0.00480017
         THE ROOT MEAN SQUARE ERROR IN ITERATION   7 IS   0.00240012
         Severe error: singular angular variable!

What is the source of this error?

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[ scan1.inp ] DLC Scan: "Severe error: singular angular variable!"


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