[Wien] (no subject)
george bush
originw2000 at yahoo.com
Mon Jul 19 23:07:37 CEST 2004
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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