#include <cmath>#include <complex>#include <vector>#include "layer_0_core/math/phase_factor.hpp"#include "layer_0_core/math/spherical/coefficients.hpp"#include "layer_0_core/types/init.hpp"#include "layer_1_structure/crystal/crystal.hpp"#include "layer_3_representation/basis/planewave/init.hpp"#include "layer_3_representation/basis/planewave/internal/spherical_harmonics_table.hpp"#include "layer_3_representation/pseudopotential/planewave/ultrasoft/internal/charge_density_augmentation.hpp"#include "layer_3_representation/pseudopotential/set.hpp"#include "layer_3_representation/pseudopotential/ultrasoft/internal/effective_potential_non_local.hpp"Go to the source code of this file.
Classes | |
| class | q3::PlanewaveEffectiveNonlocalPotential |
Namespaces | |
| namespace | q3 |
Functions | |
| std::vector< std::vector< Real > > | q3::compute_ultrasoft_effective_d_matrix (const Crystal &crystal_structure, const PlanewaveBasis &planewave_basis, const PseudopotentialSet &pseudopotential_set, const std::vector< Complex > &total_potential_g, const AugmentationQTable &augmentation_q_table, const SphericalHarmonicsTable &spherical_harmonics_table, const GauntCoefficientTable &gaunt_table, const std::vector< int > &projector_channels_per_type, const std::vector< std::vector< int > > &projector_to_beta_index, const std::vector< std::vector< int > > &projector_combined_lm_index, const std::vector< std::vector< int > > &projector_angular_momentum) |
1.9.8