[Wannier] Wannier90 calculation related issue
Lorenzo Paulatto
paulatz at gmail.com
Thu May 31 18:30:20 CEST 2018
>
> Something wrong!
> rlatt(i,j) = 0.40474288765015115 at(i,j)= 1.0000000000000000
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Dear Anindya,
I think this happens if the lattice you defined in the prefix.win file
is not consistent with the one in the pw.x input. You can provide a
snippet of the two if you wish we have a look. Don't forget to re-run
wannier90.x -pp prefix
before pw2wannier90 if you edit it.
hth
--
Lorenzo Paulatto - Paris
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