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Next: Token LMXRHO= of cast Up: Category RHOFIT Previous: Token RMAXS= of cast

Token SIGMA= of cast double

Fitting radius. This is read in the same way as in category STR.

RHOFIT ATOM=i LMXRHO=2 SIGMA=s(0,i) ... s(lmx,i)
       ATOM=j LMXRHO=2 SIGMA=s(0,j) ... s(lmx,j)
Where the s's are numbers. The value of LMXRHO is only an example.

O. Jepsen
Thu Oct 12 14:48:45 MESZ 2000