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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
write_wfc_pw.h File Reference
#include "source_basis/module_pw/pw_basis_k.h"
#include "source_cell/klist.h"
#include "source_psi/psi.h"
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Namespaces

namespace  ModuleIO
 This class has two functions: restart psi from the previous calculation, and write psi to the disk.
 

Functions

void ModuleIO::write_wfc_pw (const int kpar, const int my_pool, const int my_rank, const int nbands, const int nspin, const int npol, const int rank_in_pool, const int nproc_in_pool, const int out_wfc_pw, const double &ecutwfc, const std::string &global_out_dir, const psi::Psi< std::complex< double > > &psi, const K_Vectors &kv, const ModulePW::PW_Basis_K *wfcpw, std::ofstream &ofs_running)