[Pw_forum] About midpoint.x

shudong wang sd.wang000 at gmail.com
Thu Apr 1 16:05:39 CEST 2010


Dear all:
 I use the midpoint.x to get the wannier centers in WanT code, but I have
some problem as following in output file:

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

  Program <midpoint>  v. 2.1.0  starts ...
  Date  1Apr2010 at 21:59:41
     Serial run.
          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 :

 *** from PE    :     0
 *** in routine : io_init
 *** error msg. : invalid dftdata_fmt =
 *** error code :     1
 *** aborting ***
My input file is :
&INPUT
   prefix  = 'pt_h2_pt',
   work_dir =
'/home/sdwang/WanT/tmp/test11/pt_h2_pt.export/index.xml',
   output_fmt  =  "crystal"
   rcut  =  5.0
   toll  =  0.10
/
What is my problem?
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