[Pw_forum] NSCF calculation and k-mesh inonsistency

[Carlo Motta]

Hello,

I have been recently facing some problems occurring during a nscf calculation.
As you can see in the input file nscf.in, I specify a grid of 216 kpoints, but the codes performs the calculation over a different grid made of 424 kpoints, which contains and expands the one I included in nscf.in (see grid.jpeg attached).

I am naively assuming that something went wrong - this is not what I would expect. Also, I need this calculation to wannierize some bands and the postprocessing tool pw2wannier90.x, that I run after the nscf, gives an error, which I suspect to be related with the mismatch in kgrids.

Thank you in advance,

--
              
Carlo Motta

PostDoc Researcher
School of Physics and CRANN,         
Trinity College Dublin,                         
Dublin 2, IRELAND
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