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Atomic-orbital Based Ab-initio Computation at UStc
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write_eig_occ.h
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1#ifndef WRITE_EIG_OCC_H
2#define WRITE_EIG_OCC_H
4#include "source_cell/klist.h"
6
7namespace ModuleIO
8{
10 const ModuleBase::matrix &wg,
11 const K_Vectors& kv);
12
13 void write_eig_file(const ModuleBase::matrix &ekb,
14 const ModuleBase::matrix &wg,
15 const K_Vectors& kv);
16}
17
18#endif
Definition klist.h:13
Definition matrix.h:19
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9
void write_eig_iter(const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const K_Vectors &kv)
Definition write_eig_occ.cpp:13
void write_eig_file(const ModuleBase::matrix &ekb, const ModuleBase::matrix &wg, const K_Vectors &kv)
Definition write_eig_occ.cpp:161