ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
Loading...
Searching...
No Matches
read_wf2rho_pw.h
Go to the documentation of this file.
1#ifndef READ_WF2RHO_PW_H
2#define READ_WF2RHO_PW_H
3
6
7#include <string>
8#include <fstream>
9
10namespace ModuleIO
11{
23 const ModulePW::PW_Basis_K* pw_wfc,
25 Charge& chg,
26 const std::string &readin_dir,
27 const int kpar,
28 const int my_pool,
29 const int my_rank,
30 const int nproc_in_pool,
31 const int rank_in_pool,
32 const int nbands,
33 const int nspin,
34 const int npol,
35 const int nkstot,
36 const std::vector<int> &ik2iktot,
37 const std::vector<int> &isk,
38 std::ofstream &ofs_running);
39
40} // namespace ModuleIO
41
42#endif
Definition charge.h:20
Special pw_basis class. It includes different k-points.
Definition pw_basis_k.h:57
Definition symmetry.h:16
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9
void read_wf2rho_pw(const ModulePW::PW_Basis_K *pw_wfc, ModuleSymmetry::Symmetry &symm, Charge &chg, const std::string &readin_dir, const int kpar, const int my_pool, const int my_rank, const int nproc_in_pool, const int rank_in_pool, const int nbands, const int nspin, const int npol, const int nkstot, const std::vector< int > &ik2iktot, const std::vector< int > &isk, std::ofstream &ofs_running)
read wave functions and occupation numbers to charge density
Definition read_wf2rho_pw.cpp:11
int rank_in_pool
Definition pw_test.cpp:12
int nproc_in_pool
Definition pw_test.cpp:12