[Wannier] info iknum
jonathan.yates at materials.ox.ac.uk
Tue Sep 23 18:07:14 CEST 2014
On 23 Sep 2014, at 16:10, Tommaso Francese <neutrinofrancese at gmail.com> wrote:
> Dear all W90 users,
> come someone explain to me why i got this error?
> *** Reading nnkp
> Checking info from wannier.nnkp file
> - Real lattice is ok
> - Reciprocal lattice is ok
> Something wrong!
> numk= 64 iknum= 136
The number of k-points pw2wannier90 is expecting (4x4x4=64) is not equal to the number it found from the nscf calculation (136). Various ways this could have happened - one common way is that you tried to use symmetry in the nscf run, and pwscf unfolded your 64 k-points into 136. Use the nosym keyword in your nscf run.
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