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["zhangtingPKU" <zhangting@pku.edu.cn>]

Dear ABINIT users:

          I'm doing phonon calculation with ABINIT code. Firstly I did a scf 
calculation to generate the ground state wavefunction, whose input file is 
the scf.in attached. Next, I used this WFK file to perform phonon 
calculation(the input file is the Q_3125E-2.in, which calculate the phonon at 
Q-point (0 0 0.03125)), but mistake appears at the end of the log file(in the 
log-Q_3125E-2 attached):
----------------------------------------------------------------------------------------------------------
       hdr_check: WARNING -
  Restart of self-consistent calculation need translated wavefunctions.
  Indeed, critical differences between current calculation and
  restart file have been detected in:
        * the number, position, or weight of k-points
        * the format of wavefunctions (istwfk)
================================================================================

 inwffil: ERROR
  The file Q_3125E-2o_DS1_WFK cannot be used to start the
  present calculation. It was asked that the wavefunctions be accurate, but
  at least one of the k points could not be generated from a symmetrical one.
  dksqmax=    4.560066E-05
  Action: check your wf file and k point input variables.

 leave_new : decision taken to exit ...
----------------------------------------------------------------------------------------------------------

      I've never met such a problem before.With the same method,graphite's 
phonon can be calculated with no error. What's the meaning of this? Why the 
WFK file can't be used by phonon calculation? I've checked the k-point in the 
two input files, but haven't found problem. Thanks!


　　　　　　　　致
礼！


　　　　　　　　zhangtingPKU
　　　　　　　　zhangting@pku.edu.cn
　　　　　　　　　　2006-07-14

Attachment: scf.in
Description: Binary data

Attachment: Q_3125E-2.in
Description: Binary data

Attachment: log-Q_3125E-2
Description: Binary data