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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
read_wf2rho_pw.h File Reference
#include "source_basis/module_pw/pw_basis_k.h"
#include "source_estate/module_charge/charge.h"
#include <string>
#include <fstream>
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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::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