[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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