k_vector_utils.h File Reference

#include "source_base/global_variable.h"
#include "source_base/matrix3.h"
#include "source_cell/unitcell.h"

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Namespaces
namespace	KVectorUtils

Functions
void	KVectorUtils::kvec_d2c (K_Vectors &kv, const ModuleBase::Matrix3 &reciprocal_vec)
void	KVectorUtils::kvec_c2d (K_Vectors &kv, const ModuleBase::Matrix3 &latvec)
void	KVectorUtils::set_both_kvec (K_Vectors &kv, const ModuleBase::Matrix3 &G, const ModuleBase::Matrix3 &R, std::string &skpt)
	Sets both the direct and Cartesian k-vectors.
void	KVectorUtils::set_after_vc (K_Vectors &kv, const int &nspin, const ModuleBase::Matrix3 &G)
	Sets up the k-points after a volume change.
void	KVectorUtils::print_klists (const K_Vectors &kv, std::ofstream &ofs)
	Prints the k-points in both Cartesian and direct coordinates.
void	KVectorUtils::kvec_mpi_k (K_Vectors &kv)
	Distributes k-points among MPI processes.
void	KVectorUtils::kvec_ibz_kpoint (K_Vectors &kv, const ModuleSymmetry::Symmetry &symm, bool use_symm, std::string &skpt, const UnitCell &ucell, bool &match)
	Generates irreducible k-points in the Brillouin zone considering symmetry operations.