[Wien] (no subject)

[Torsten Andersen]

Dear Mr. Bush,

you have almost 100% of the core charge inside the sphere, so that 
should be fine.

Best regards,
Torsten Andersen.

george bush wrote:
> hi, guys,
> 
> please judge if I am right for the understanding of
> the following phrase from .outputst. 
> 
> the total charge within the MT is 58.26, and there are
> 46 regarded as the core charge.
> this set is reasonable?
> 
> ********************************
> TOTAL CHARGE FOR SPIN  1 :               
> 32.000000000055088
>  TOTAL CHARGE FOR SPIN  1  INSIDE SPHERE: 
> 31.014557017740124
>  TOTAL CHARGE FOR SPIN  2 :               
> 28.000000000056076
>  TOTAL CHARGE FOR SPIN  2  INSIDE SPHERE: 
> 27.246483918658438
>  TOTAL CHARGE in sigma FOR SPIN  1 :              
> 0.E+0
>  TOTAL CHARGE in sigma FOR SPIN  1 INSIDE SPHERE: 
> 0.E+0
>  TOTAL CHARGE in sigma FOR SPIN  2 :              
> 0.E+0
>  TOTAL CHARGE in sigma FOR SPIN  2 INSIDE SPHERE: 
> 0.E+0
>  TOTAL CORE-CHARGE:                46.000000000111129
>  TOTAL CORE-CHARGE INSIDE SPHERE:  45.999998498305338
> 
> 
> 		
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/