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Atomic-orbital Based Ab-initio Computation at UStc
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write_bands.h
Go to the documentation of this file.
1#ifndef WRITE_BANDS_H
2#define WRITE_BANDS_H
3
6#include "source_cell/klist.h"
7
8namespace ModuleIO
9{
10
11
12void write_bands(const Input_para& inp,
13 const ModuleBase::matrix& ekb,
14 const K_Vectors& kv);
15
27void nscf_bands(const int& is,
28 const std::string &eig_file,
29 const int& nband,
30 const double& fermie,
31 const int& precision,
32 const ModuleBase::matrix& ekb,
33 const K_Vectors& kv);
34}
35
36#endif
Definition klist.h:12
Definition matrix.h:18
Definition input_help.cpp:10
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:12