[Wien] pairHess Error

[Laurence Marks]

What version are you using? It sounds like there is something wrong with the
web interface, or (by default) it is running pairhess. Ignore the error and
just run a scf convergence iteration.

2011/4/17 SANJAY KUMAR SINGH <sanjayfizix at gmail.com>

> Respected Prof. Laurence Marks  and all Wien2k users,
>
> First of all thank you so much for reply. Sir, We are not doing a
> minimization for a structure.
> We were just initialising calculation for band structure calculation on our
> server yesterday .
> When we clicked on button x dstart then following error found
>
> Commandline: *x dstart *
> Program input is: *""*
>
> -1
>
> Error, structure does not appear to have variable positions!
>
> PairHess - Error. Check file pairhess.error.
>
> 0.002u 0.002s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>
>
>
> Sir, May I request you to kindly give any idea on this error.
> How can I resolve this error. I will be very grateful to you. I am waiting
> for your reply.
>
> With kind Regards and Thanks,
>
> *SANJAY KUMAR SINGH*
> JRF (DST), NEW DELHI
> CONDENSED MATTER THEORY GROUP
> SCHOOL OF STUDIES IN PHYSICS
> JIWAJI UNIVERSITY
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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
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