[Pw_forum] About wannier center

[shudong wang]

dear all:

When I use the disentangle.x code in WanT package, the output file is :

  ======================================================================
              =                                            =
              =     *** WanT *** Wannier Transport Code    =
              =        (www.wannier-transport.org)         =
              =      Ultra Soft Pseudopotential Implem.    =
              =                                            =
  ======================================================================

  Program <disentangle>  v. 2.1.0  starts ...
  Date  5Apr2010 at 17:39:53
     Parallel run, # proc:    8
          BUILT :    Thu Apr  1 20:30:37 2010
           HOST :    x86_64-unknown-linux-gnu
           ARCH :    amd64
             CC :    icc
            CPP :    cpp
            F90 :    mpif90
            F77 :    ifort
         DFLAGS :    -D__INTEL -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI
-D__PARA
      BLAS LIBS :    -L/usr/local/intel/cmkl/8.0/lib/em64t -lmkl_em64t
-lguide -lpthread
    LAPACK LIBS :    -lmkl_lapack
       FFT LIBS :
      MASS LIBS :

  DFT-data fmt automaticaly detected: qexml
-----------------------------------------------------------------------
----------------------------------------------------------------------

it stop here have not any other information,and my input file for
disentangle is :


&CONTROL
   prefix = '33'
   postfix = '_WanT'
   work_dir = '/home/sdwang/33/'
   verbosity = 'medium'
   wantdata_fmt = 'binary'
/
&SUBSPACE
   dimwann = 50
   win_max = 10.0
   win_min=-15.0
   maxiter_dis = 3000
/
&LOCALIZATION
   a_condmin = 20.0
   maxiter0_wan = 1000,
   alpha0_wan = 0.5
   maxiter1_wan = 3000,
   alpha1_wan = 0.5
   ncg = 9
/
WANNIER_CENTERS {crystal}
1gauss      0.000000000    0.087520000    0.101960000    0  0   0.5  1.0
1gauss      0.101960000    0.087520000    0.000000000    0  0   0.5  1.0
1gauss      0.203920000    0.087520000    0.101960000    0  0   0.5  1.0
1gauss      0.101960000    0.175030000    0.101960000    0  0   0.5  1.0
1gauss      0.000000000    0.000000000    0.203920000    0  0   0.5  1.0
1gauss      0.000000000    0.087520000    0.305870000    0  0   0.5  1.0
1gauss      0.101960000    0.000000000    0.305870000    0  0   0.5  1.0
1gauss      0.101960000    0.087520000    0.203920000    0  0   0.5  1.0
1gauss      0.203920000    0.000000000    0.203920000    0  0   0.5  1.0
1gauss      0.203920000    0.087520000    0.305870000    0  0   0.5  1.0
1gauss      0.305870000    0.087520000    0.203920000    0  0   0.5  1.0
1gauss      0.000000000    0.175030000    0.203920000    0  0   0.5  1.0
1gauss      0.101960000    0.175030000    0.305870000    0  0   0.5  1.0
1gauss      0.101960000    0.262550000    0.203920000    0  0   0.5  1.0
1gauss      0.000000000    0.820710000    0.101960000    0  0   0.5  1.0
1gauss      0.101960000    0.733200000    0.101960000    0  0   0.5  1.0
1gauss      0.101960000    0.820710000    0.000000000    0  0   0.5  1.0
1gauss      0.203920000    0.820710000    0.101960000    0  0   0.5  1.0
1gauss      0.101960000    0.645680000    0.203920000    0  0   0.5  1.0
1gauss      0.000000000    0.820710000    0.305870000    0  0   0.5  1.0
1gauss      0.101960000    0.733200000    0.305870000    0  0   0.5  1.0
1gauss      0.101960000    0.820710000    0.203910000    0  0   0.5  1.0
1gauss      0.203920000    0.733200000    0.203910000    0  0   0.5  1.0
1gauss      0.203920000    0.820710000    0.305870000    0  0   0.5  1.0
1gauss      0.305870000    0.820710000    0.203910000    0  0   0.5  1.0
1gauss      0.101960000    0.909530000    0.101960000    0  0   0.5  1.0
1gauss      0.000000000    0.909530000    0.203920000    0  0   0.5  1.0
1gauss      0.203920000    0.909530000    0.203920000    0  0   0.5  1.0
1gauss      0.104560000    0.561910000    0.203540000    0  0   0.5  1.0
1gauss      0.104560000    0.346290000    0.203540000    0  0   0.5  1.0
1gauss      0.104560000    0.510410000    0.203540000    0  0   0.5  1.0
1gauss      0.104560000    0.454100000    0.203540000    0  0   0.5  1.0
1gauss      0.104560000    0.397790000    0.203540000    0  0   0.5  1.0
the atoms are 28 Au,2N,3C

What is my problem?

Thanks in advance!

S.D. Wang

Southeast University in Nanjing China.
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