ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
Loading...
Searching...
No Matches
write_dos_pw.h
Go to the documentation of this file.
1#ifndef WRITE_DOS_PW_H
2#define WRITE_DOS_PW_H
3
6#include "source_cell/klist.h"
8
9namespace ModuleIO
10{
12 void write_dos_pw(
13 const UnitCell& ucell,
14 const ModuleBase::matrix &ekb,
15 const ModuleBase::matrix &wg,
16 const K_Vectors& kv,
17 const int nbands,
18 const int istep_in,
19 const elecstate::Efermi &energy_fermi,
20 const double &dos_edelta_ev,
21 const double &dos_scale,
22 const double &bcoeff,
23 std::ofstream& ofs_running);
24}
25#endif
Definition klist.h:13
Definition matrix.h:19
Definition unitcell.h:17
This file contains all energies about first-principle calculations.
Definition cal_dos.h:9
void write_dos_pw(const UnitCell &ucell, const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const K_Vectors &kv, const int nbands, const int istep_in, 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
Definition fp_energy.h:63