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[GaoTao <gaotaoscu@hotmail.com>]

Dear All,

I was using response function to compute the DDB for the calculation of phonon spectrum. I got a trouble on a warning, and this warning enventually result in the stop  of the  ABINIT  with  error. The  content  of  the  warning  is  as  follow:

"
 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 trf2_1o_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=    3.705839E-05
  Action: check your wf file and k point input variables.
"

Before this error, the output file indicate that

"
          - hdr_check: checking restart file header for consistency -


        current calculation                         restart file
        -------------------                         ------------

  calculation expects a wavefunction    |  input file contains a wavefunction
  ABINIT  code version 4.6.5          &nb sp; |  ABINIT  code version 4.6.5
  date 20080124 bantot 3600 natom    6  |  date 20080123 bantot  720 natom    6
  nkpt  75 nsym 24 ngfft 45, 45, 36     |  nkpt  15 nsym 24 ngfft 45, 45, 36
  ntypat  2 ecut_eff  24.0000000        |  ntypat  2 ecut_eff  24.0000000
  usepaw  0                             |  usepaw  0
  rprimd:                               |  rprimd:
     9.4841000   0.0000000   0.0000000  |     9.48410 00   0.0000000   0.0000000
    -4.7420500   8.2134715   0.0000000  |    -4.7420500   8.2134715   0.0000000
     0.0000000   0.0000000   7.5258000  |     0.0000000   0.0000000   7.5258000

 hdr_check: WARNING - 
 input nkpt=      75 not equal disk file nkpt=      15

"

I am not very clear, Why did the "input nkpt" differ from the disk file nkpt?  what is the reason for the  change of the nkpt, why do we need this change?
is it possible to keep the "nkpt" value within one calculation?

All suggestion will be appreciated.

Tao

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