ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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output_sk.h
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1#ifndef OUTPUT_SK_H
2#define OUTPUT_SK_H
3
6
7namespace ModuleIO
8{
9
10template <typename TK>
12{
13 public:
15 Output_Sk(hamilt::Hamilt<TK>* p_hamilt, Parallel_Orbitals* ParaV, int nspin, int nks);
17 TK* get_Sk(int ik);
18
19 private:
22 int nks_;
23 int nspin_;
24 std::vector<TK> SK;
25};
26
27} // namespace ModuleIO
28
29#endif // OUTPUT_SK_H
Definition output_sk.h:12
int nspin_
Definition output_sk.h:23
hamilt::Hamilt< TK > * p_hamilt_
Definition output_sk.h:20
Parallel_Orbitals * ParaV_
Definition output_sk.h:21
std::vector< TK > SK
Definition output_sk.h:24
int nks_
Definition output_sk.h:22
TK * get_Sk(int ik)
the function to get Sk for a given k-point
Definition output_mulliken_mock.cpp:137
Definition parallel_orbitals.h:9
Definition hamilt.h:16
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9