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Atomic-orbital Based Ab-initio Computation at UStc
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write_bands.h
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1#ifndef WRITE_BANDS_H
2#define WRITE_BANDS_H
3
6#include "source_cell/klist.h"
8
9namespace ModuleIO
10{
11
12
13void write_bands(const Input_para& inp,
14 const ModuleBase::matrix& ekb,
15 const K_Vectors& kv);
16
28void nscf_bands(const int& is,
29 const std::string &eig_file,
30 const int& nband,
31 const double& fermie,
32 const int& precision,
33 const ModuleBase::matrix& ekb,
34 const K_Vectors& kv);
35}
36
37#endif
Definition klist.h:13
Definition matrix.h:19
Definition cal_dos.h:9
void nscf_bands(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 write_bands.cpp:47
void write_bands(const Input_para &inp, const ModuleBase::matrix &ekb, const K_Vectors &kv)
Definition write_bands.cpp:14
Definition input_parameter.h:13