[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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