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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
write_dos_pw.h File Reference
#include "source_base/matrix.h"
#include "source_cell/unitcell.h"
#include "source_cell/klist.h"
#include "source_estate/fp_energy.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_dos_pw (const UnitCell &ucell, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const K_Vectors &kv, const int nbands, const elecstate::efermi &energy_fermi, const double &dos_edelta_ev, const double &dos_scale, const double &bcoeff, std::ofstream &ofs_running)
 calculate density of states(DOS) for PW base