[Wien] Warning force
Lyudmila Dobysheva
lyu at otf.pti.udm.ru
Fri Apr 6 08:56:55 CEST 2007
The second position of the third atom looks also suspicious:
> ATOM -3: X=0.00000000 Y=0.00000000 Z=0.00000000
> MULT= 2 ISPLIT= 4
> -3: X=0.00000000 Y=0.00000100 Z=0.50000000
Best regards
Lyudmila Dobysheva
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