q3::PlanewaveBasisConfig Struct Reference

#include <init.hpp>

Public Attributes
Real	energy_cutoff_charge_density = 0.0
	Charge density energy cutoff in Rydberg (typically 4× wavefunction cutoff for NC PP).
Real	energy_cutoff_wavefunction = 0.0
	Wavefunction energy cutoff in Rydberg.

Detailed Description

Energy cutoffs that determine the plane-wave basis size.

Definition at line 36 of file init.hpp.

Member Data Documentation

energy_cutoff_charge_density

Real q3::PlanewaveBasisConfig::energy_cutoff_charge_density = 0.0

Charge density energy cutoff in Rydberg (typically 4× wavefunction cutoff for NC PP).

Definition at line 40 of file init.hpp.

energy_cutoff_wavefunction

Real q3::PlanewaveBasisConfig::energy_cutoff_wavefunction = 0.0

Wavefunction energy cutoff in Rydberg.

Definition at line 38 of file init.hpp.

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

• src/layer_3_representation/basis/planewave/init.hpp