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

yxl@email.jlu.edu.cn yxl at email.jlu.edu.cn
Mon Sep 17 15:19:16 CEST 2007


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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