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Atomic-orbital Based Ab-initio Computation at UStc
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setup_pwwfc.h
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1#ifndef SETUP_PWWFC_H
2#define SETUP_PWWFC_H
3
4#include "source_cell/unitcell.h" // cell information
5#include "source_cell/klist.h" // k-points
6#include "source_basis/module_pw/pw_basis.h" // pw_rho
7#include "source_basis/module_pw/pw_basis_k.h" // pw_wfc
8
9struct Input_para;
10
11namespace pw
12{
13
15
16void setup_pwwfc(const Input_para& inp,
17 const UnitCell& ucell,
18 const ModulePW::PW_Basis& pw_rho,
19 K_Vectors& kv,
20 ModulePW::PW_Basis_K* &pw_wfc);
21
22}
23
24#endif
Definition klist.h:12
Special pw_basis class. It includes different k-points.
Definition pw_basis_k.h:56
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition pw_basis.h:56
Definition unitcell.h:15
Definition deltaspin_pw.cpp:7
void teardown_pwwfc(ModulePW::PW_Basis_K *&pw_wfc)
Definition setup_pwwfc.cpp:7
void setup_pwwfc(const Input_para &inp, const UnitCell &ucell, const ModulePW::PW_Basis &pw_rho, K_Vectors &kv, ModulePW::PW_Basis_K *&pw_wfc)
Definition setup_pwwfc.cpp:12
Definition input_parameter.h:12