[Wien] internal parameters

Saeid Jalali s_jalali_a at yahoo.com
Wed Aug 16 13:25:21 CEST 2006


Please see the following nice description of L.Marks, S.Cottenier and P. Blaha:
  http://www.wien2k.at/reg_user/textbooks/Optimization-Notes.pdf

hazem salem <salemhadihazem at yahoo.com> wrote:  Dear users,
                Does anybody have the experience of optimizing a structure like PbO2?  How to do it? we have three things to optimize the structure, a, c and  the internal value u.
thanks
hazem
     

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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
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