abacus-develop/write__dos__pw_8h_source.html

#ifndef WRITE_DOS_PW_H

#define WRITE_DOS_PW_H


#include "source_base/matrix.h"

#include "source_cell/unitcell.h"

#include "source_cell/klist.h"

#include "source_estate/fp_energy.h"


namespace ModuleIO

{

    void 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);

}

#endif

K_Vectors
Definition klist.h:13

ModuleBase::matrix
Definition matrix.h:19

UnitCell
Definition unitcell.h:16

fp_energy.h
This file contains all energies about first-principle calculations.

matrix.h

ModuleIO
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9

ModuleIO::write_dos_pw
void 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
Definition write_dos_pw.cpp:7

klist.h

elecstate::efermi
Fermi energies.
Definition fp_energy.h:63

unitcell.h