The ABINIT Users Mailing List ( CLOSED )

[Gilles Zerah <gilles.zerah@cea.fr>]

Dear Rajdeep,

It seems that after the kpt number 50, the initial wave functions are not
generated anymore.


-P-0000  wfconv:     4 bands initialized randomly with npw=   975, for ikpt=  
  49
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          50
before sum, npwtot         976
after  sum, npwtot        1957
-P-0000  wfconv:     4 bands initialized randomly with npw=   976, for ikpt=  
  50
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          51
before sum, npwtot         974
after  sum, npwtot        1961
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          52
before sum, npwtot         977
after  sum, npwtot        1962
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          53
before sum, npwtot         986
after  sum, npwtot        1975
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          54
before

etc...



Could you reduce the number of kpts to, something less than 50?

Good luck,

Gilles



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