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Atomic-orbital Based Ab-initio Computation at UStc
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td_folding.h
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1#ifndef TD_FOLDING_H
2#define TD_FOLDING_H
4
5namespace module_rt{
6// folding HR to hk, for hybrid gauge
7template<typename TR>
8void folding_HR_td(const UnitCell& ucell,
10 std::complex<double>* hk,
11 const ModuleBase::Vector3<double>& kvec_d_in,
13 const int ncol,
14 const int hk_type);
15template<typename TR>
16void folding_partial_HR(const UnitCell& ucell,
17 const hamilt::HContainer<TR>& hR,
18 std::complex<double>* hk,
19 const ModuleBase::Vector3<double>& kvec_d_in,
20 const int ix,
21 const int ncol,
22 const int hk_type);
23template<typename TR>
24void folding_partial_HR_td(const UnitCell& ucell,
25 const hamilt::HContainer<TR>& hR,
26 std::complex<double>* hk,
27 const ModuleBase::Vector3<double>& kvec_d_in,
28 const ModuleBase::Vector3<double>& cart_At,
29 const int ix,
30 const int ncol,
31 const int hk_type);
32}// namespace module_rt
33
34#endif
3 elements vector
Definition vector3.h:24
Definition unitcell.h:15
Definition hcontainer.h:144
Definition band_energy.cpp:15
void folding_partial_HR(const UnitCell &ucell, const hamilt::HContainer< TR > &hR, std::complex< double > *hk, const ModuleBase::Vector3< double > &kvec_d_in, const int ix, const int ncol, const int hk_type)
Definition td_folding.cpp:46
void folding_partial_HR_td(const UnitCell &ucell, const hamilt::HContainer< TR > &hR, std::complex< double > *hk, const ModuleBase::Vector3< double > &kvec_d_in, const ModuleBase::Vector3< double > &cart_At, const int ix, const int ncol, const int hk_type)
Definition td_folding.cpp:77
void folding_HR_td(const UnitCell &ucell, const hamilt::HContainer< TR > &hR, std::complex< double > *hk, const ModuleBase::Vector3< double > &kvec_d_in, const ModuleBase::Vector3< double > &cart_At, const int ncol, const int hk_type)
Definition td_folding.cpp:5