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Atomic-orbital Based Ab-initio Computation at UStc
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read_wfc_pw.h
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1#ifndef READ_WFC_PW_H
2#define READ_WFC_PW_H
3
6
7#include <string>
8
9namespace ModuleIO
10{
11
22void read_wfc_pw(const std::string& filedir,
23 const ModulePW::PW_Basis_K* pw_wfc,
24 const int rank_in_pool,
25 const int nproc_in_pool,
26 const int nbands,
27 const int npol,
28 const int& ik,
29 const int& ikstot,
30 const int& nkstot,
32} // namespace ModuleIO
33
34#endif
Definition complexmatrix.h:14
Special pw_basis class. It includes different k-points.
Definition pw_basis_k.h:57
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9
void read_wfc_pw(const std::string &filedir, const ModulePW::PW_Basis_K *pw_wfc, const int rank_in_pool, const int nproc_in_pool, const int nbands, const int npol, const int &ik, const int &ikstot, const int &nkstot, ModuleBase::ComplexMatrix &wfc)
read wave functions from binary file
Definition read_wfc_pw.cpp:12
int rank_in_pool
Definition pw_test.cpp:12
int nproc_in_pool
Definition pw_test.cpp:12