triqs.experimental.lattice.lattice.BzIntOptions

class triqs.experimental.lattice.lattice.BzIntOptions

Bases: object

Options controlling the combined PTR and adaptive Brillouin-zone integration.

The integration first attempts to converge each frequency with fixed k-grid (PTR) integration of increasing grid density, starting from k_grid and increasing in steps of delta_k_grid until a point converges or the grid reaches k_grid_max. The remaining unconverged frequency points are then integrated adaptively until they reach the requested absolute tolerance.

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Synthesized constructor with the following keyword arguments:

Parameters:

tolerancefloat, default=1.e-3

k_grid[int, len = 3], default={10, 10, 10}

delta_k_grid[int, len = 3], default={2, 2, 2}

k_grid_max[int, len = 3], default={20, 20, 20}

run_adaptivebool, default=true

run_ptrbool, default=true

verbosebool, default=false

Attributes

delta_k_grid	Increment of the k-grid size at each refinement step.
k_grid	Initial number of PTR k-points along each direction.
k_grid_max	Maximum number of k-points along each direction.
run_adaptive	Whether to run adaptive integration on the remaining points.
run_ptr	Whether to run PTR integration before the adaptive step.
tolerance	Absolute tolerance of the integrated quantity.
verbose	Whether to print the convergence progress.