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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
write_elf.h File Reference
#include <string>
#include "source_cell/unitcell.h"
#include "source_basis/module_pw/pw_basis.h"
#include "source_estate/module_charge/charge.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_elf (const int &bz, const int &nbz, const std::string &out_dir, const int &istep, const int &nspin, const double *const *rho, const double *const *tau, ModulePW::PW_Basis *rho_basis, const Parallel_Grid &pgrid, const UnitCell *ucell_, const int &precision)