[Wien] core leakage
Saeid Jalali
sjalali at phys.ui.ac.ir
Mon Aug 23 18:53:25 CEST 2004
> TOTAL CORE-CHARGE: 2.
> TOTAL CORE-CHARGE INSIDE SPHERE: 1.972.....
> WARNING: 0.02731.... CORE electrons leak out of MT-sphere
>
>
> from my understanding tot. core-ch. > tot. cor-ch. inside
> sphere.
You are right, but better to add: or (nearly) equal.
> why am i getting this message?
Because 0.02731 is a too big leakage, and we would try make it
smaller as possible playing with the separation energy (S.E.)
and/or MT sphere size.
For more realization below see pages 32 and 33 of Stefaan's text
book:
http://www.wien2k.at/reg_user/textbooks/
Sincerely yours,
S. Jalali.
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Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys. :+98-0311-793 2435
Office :+98-0311-793 2430
Fax No. :+98-0311-793 2409
E-mail: sjalali at phys.ui.ac.ir
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