[Wien] case.inM is empty for minimization in Wien2k-07.2

Laurence Marks L-marks at northwestern.edu
Sat Jun 16 20:30:20 CEST 2007


Did you setup the minimization via w2web? If so, it should have copied
Case.inM_st to Case.inM for you. If it has not do
 x pairhess ; cp .minpair .minrestart ; cp Case.inM_st Case.inM

On 6/16/07, hossien rahnama <h_rahnamay at yahoo.com> wrote:
> Dear Wien2k users,
> Thank you very much for your attentions .I am  doing a minimization for a
> structure with 40 atoms in supercell with Wien2k-07.2. While I edit Case.inM
> in minimization option, this file is empty and I have not input file for
> minimization. Please let me know, how to solve this problem?
>  Thanks in advance for any suggestions.
> Best regardes,H.A.Rahnama
>
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
EMM2007 http://ns.crys.ras.ru/EMMM07/
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