[Wien] Shift of potential

[Saeid Jalali]

>When this number is different from 0.00 ?
When you would reduce the potential to make all eigenvalues negative, e.g.
in open core or in constraint LDA calculations.

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 4176
Fax No.           :+98-0311-793 2409
E-mail              :sjalali at phys.ui.ac.ir
Homepage        :http://sci.ui.ac.ir/~sjalali
www                :http://www.ui.ac.ir
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>-----Original Message-----
>From: wien-bounces at zeus.theochem.tuwien.ac.at [mailto:wien-
>bounces at zeus.theochem.tuwien.ac.at] On Behalf Of zoulikha charifi
>Sent: Saturday, December 01, 2007 6:08 PM
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] Shift of potential
>
>Dear wien2k users
>in file case.inc , in line one  the second number
>represents the shift of potential.I read in the user
>guide that this number is the shift of potential for
>positive eigenvalues.
>When this number is different from 0.00 ?
>I would greatly appreciate any comments and advice.
>
>Z.Charifi
>
>
>
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