[Wien] WARNING : Please restart anew from final position

[Laurence Marks]

Do grep -e :MIN *.ouptputM -- you need to keep going.

On Thu, Jan 20, 2011 at 12:30 PM, Kakhaber Jandieri
<Kakhaber.Jandieri at physik.uni-marburg.de> wrote:
> Dear Wien2k users,
>
> Using "mini" I see the following message:
>
>>   stop
>>   mini        (00:43:49) 0.880u 0.060s 0:01.25 75.2%  0+0k 0+4024io 0pf+0w
>  :WARNING Please restart anew from final position
>
>>   stop forces small, minimization stopped
>
>>   relaxation steps summarized in Surface-GaAs-2N-b.scf_mini
>
>>   relaxed structure and results in Surface-GaAs-2N-b.struct, scf, clmsum
>
>>   please use   save_lapw save_file_name   to save the results
>
>
> Could you explain what is the meaning of
> "WARNING Please restart anew from final position"?
>
> I found a similar question in mailing list (Ghosh SUDDHASATTWA, /Sat Jul 24 05:54:54 CEST 2010) but unfortunately without any replied suggestions.
>
> Beforehand thankful,
>
> Kakhaber Jandieri
> /
>
>
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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
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering and imaging to study the structure of matter.