q3::DisentanglementSettings Struct Reference

#include <disentanglement_settings.hpp>

Public Attributes
Real	convergence_tolerance = 1.0e-10
	Relative, because an absolute spread threshold does not transfer between systems.
int	convergence_window = 5
	Iterations the relative change must stay below the tolerance for.
Real	damping = 0.5
	Mixing of Z between iterations; 1 is undamped and oscillates on metals.
int	maximum_iterations = 4000

Detailed Description

Definition at line 12 of file disentanglement_settings.hpp.

Member Data Documentation

convergence_tolerance

Real q3::DisentanglementSettings::convergence_tolerance = 1.0e-10

Relative, because an absolute spread threshold does not transfer between systems.

Definition at line 16 of file disentanglement_settings.hpp.

Referenced by q3::WannierConstructionSettings::from(), and q3::SubspaceDisentangler::run().

convergence_window

int q3::DisentanglementSettings::convergence_window = 5

Iterations the relative change must stay below the tolerance for.

Definition at line 19 of file disentanglement_settings.hpp.

Referenced by q3::SubspaceDisentangler::run().

damping

Real q3::DisentanglementSettings::damping = 0.5

Mixing of Z between iterations; 1 is undamped and oscillates on metals.

Definition at line 14 of file disentanglement_settings.hpp.

Referenced by q3::SubspaceDisentangler::SubspaceDisentangler().

maximum_iterations

int q3::DisentanglementSettings::maximum_iterations = 4000

Definition at line 17 of file disentanglement_settings.hpp.

Referenced by q3::SubspaceDisentangler::SubspaceDisentangler(), q3::WannierConstructionSettings::from(), and q3::SubspaceDisentangler::run().

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The documentation for this struct was generated from the following file:

• src/layer_4_computation/interpolator/method/wannier/settings/disentanglement_settings.hpp