[Wien] optimize and mini.

[Saeid Jalali]

    It is difficult to write here better than what L.Marks,  S.Cottenier and PB have already prepared with the name of "technical notes  with details and tips how to optimize your structure with respect to internal  positions and lattice parameters"
  
  You will find clearly your answer in page 5, section 5, minimizing atomic  positions and lattice constants/angles simultaneously:
  http://www.wien2k.at/reg_user/textbooks/Optimization-Notes.pdf
        

ÖÓ¹ú»ª <zhgh at theory.issp.ac.cn> wrote:  Dear all,
     In WIEN2k, can the optimize(V,c/a) and mini. positions of crystal
lattice be simultaneously performed? Would you please tell me this?
     Thank you very much for any help!
     Best Wishes!

                                     sincerely yours,
                                       Zhong
-- 
=====================================================
Mr. GuoHua Zhong
Address:
    Key Laboratory of Materials Physics,Institute
    of Solid State Physics, Chinese Academy of Sciences
    Hefei, Anhui P.O.Box 1129, 230031 P. R. China
Telephone:
    86-551-5591464 (Office)
E-Mail:
    zhgh at theory.issp.ac.cn



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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
Office             :+98-0311-793 2430
Fax No.            :+98-0311-793 2409
E-mail             :s_jalali_a at yahoo.com
www                :http://www.ui.ac.ir
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