QPointsGrid

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QPointsGrid

Section Mesh::KPoints
Type block
Default KPointsGrid

This block allows to define a q-point grid used for the calculation of the Fock operator with k-points. The q-points are distributed in a uniform grid, as done for the KPointsGrid variable. See J. Chem Phys. 124, 154709 (2006) for details

For each dimension, the number of q point must be a divider of the number of k point

%QPointsGrid
  2 | 2 | 1
%

At the moment, this is not compatible with k-point symmetries.




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