[Wien] error in dstart

[Laurence Marks]

This is not dstart, this is pairhess. Are you doing a minimization for
a structure with no variable atomic positions?

2011/4/16 Pooja Rana <pooja_fizix at ymail.com>:
> Respected Prof. Blaha and Dear Wien2k users,
>
> Presently i am working with NaCl structure. During the initialisation of the
> structure it stops on x dstart with showing an error given below:
>
> Error, structure doesnot appear to have variable positions!
> Pairhess - Error. check file pairhess.error.
> 0.001u           0.004s      0:00.00           0.0%        0+0k   0+0io
> 0pf+0w
>
> In order to solve the above mentioned problem , we have check dstart.error
> file in our subdirectory but unable to find the solution.
>
> Kindly help me by suggesting me the approperiate way to solve the problem.
>
> with thanks and kind regards,
>
> Pooja Rana
> Research Scholar
> Condensed Matter Theory Group
> School of Studies In Physics
> Jiwaji University, GWALIOR - 474011 (M.P.), INDIA
>
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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/
Research is to see what everybody else has seen, and to think what
nobody else has thought
Albert Szent-Gyorgi