[Wannier] failire constantly doing pw2wannier

JOHN BREHM brehmj at sas.upenn.edu
Fri Nov 8 23:21:56 CET 2013


using the following 2 lines from my run script, the pw2wannier.x runs but
fails:
export ESPRESSO_NPROCS=64
pw2wannier90.x  <l0.pw2wan> pw2wan.out

here is the input file l0.pw2wan:
&inputpp
   outdir = './'
   prefix = 'pwscf'
   seedname = 'l0'
   spin_component = 'none'
   write_mmn = .true.
   write_amn = .true.
   write_unk = .true.
/

I ran scf, nscf, and wannier.x -pp all with the same number of kpoints.
my wannier -pp generates the file l0.nnkp.



here are the last few lines of pw2wan.out:

  Spin CASE ( default = unpolarized )

  Wannier mode is: standalone

  -----------------
  *** Reading nnkp
  -----------------

  Checking info from wannier.nnkp file

  Something wrong!
  rlatt(i,j) =   1.88972613288564       at(i,j)=   1.00000000000000


would someone be able to tell me what i am doing wrong?
tnx,
jb
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