[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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