abacus-develop/nscf__band_8h_source.html

#ifndef NSCF_BAND_H

#define NSCF_BAND_H

#include "source_base/matrix.h"

#include "source_cell/klist.h"

#include "source_cell/parallel_kpoints.h"


namespace ModuleIO

{

void nscf_band(const int& is,

               const std::string &eig_file,

               const int& nband,

               const double& fermie,

               const int& precision,

               const ModuleBase::matrix& ekb,

               const K_Vectors& kv);

}


#endif

K_Vectors
Definition klist.h:13

ModuleBase::matrix
Definition matrix.h:19

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::nscf_band
void nscf_band(const int &is, const std::string &eig_file, const int &nband, const double &fermie, const int &precision, const ModuleBase::matrix &ekb, const K_Vectors &kv)
calculate the band structure
Definition nscf_band.cpp:12

parallel_kpoints.h

klist.h