[Wien] the difference between 'yes' and 'no' in "Shift in k-mesh"

[Laurence Marks]

Please see http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-September/009724.html

On 9/17/07, yxl at email.jlu.edu.cn <yxl at email.jlu.edu.cn> wrote:
> Dear users,
>       Do you have ever met the same situation? In step kgen the number of k-points is
> the same, if enter 'yes' in 'Shift k-mesh' then all things will be ok until convergence,
>  but if enter 'no' then lapw1 error:   Cholesky INFO =         4715
>                                                       'SECLR4' - POTRF (Scalapack/LAPACK) failed.
>     I couldn't understand it, what's the difference between them. Any suggestions will
> be appreciated.
> Best wishes!
>                                                                                         yours sincerely,
>                                                                                               hongxia
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
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Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
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Commission on Electron Diffraction of IUCR
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