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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
lr_spectrum_velocity.cpp File Reference
#include "lr_spectrum.h"
#include "source_lcao/module_lr/dm_trans/dm_trans.h"
#include "source_lcao/module_lr/utils/lr_util_hcontainer.h"
#include "math.h"
#include "source_io/module_parameter/parameter.h"
#include "source_lcao/module_hcontainer/hcontainer_funcs.h"
Include dependency graph for lr_spectrum_velocity.cpp:

Namespaces

namespace  LR
 

Functions

Velocity_op< std::complex< double > > LR::get_velocity_matrix_R (const UnitCell &ucell, const Grid_Driver &gd, const Parallel_Orbitals &pmat, const TwoCenterBundle &two_center_bundle)
 get the velocity matrix v(R)
 
double LR::lorentz_delta (const double dfreq_au, const double eta_au)
 
double LR::gauss_delta (const double dfreq_au, const double eta_au)
 
template<typename T >
ModuleBase::Vector3< TLR::convert_vector_to_vector3 (const std::vector< std::complex< double > > &vec)
 
template<>
ModuleBase::Vector3< double > LR::convert_vector_to_vector3 (const std::vector< std::complex< double > > &vec)
 
template<>
ModuleBase::Vector3< std::complex< double > > LR::convert_vector_to_vector3 (const std::vector< std::complex< double > > &vec)
 
void LR::cal_eig_ks_diff (double *const eig_ks_diff, const double *const eig_ks, const Parallel_2D &px, const int nk, const int nocc, const int nvirt)