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Atomic-orbital Based Ab-initio Computation at UStc
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source
source_esolver
pw_setup.h
Go to the documentation of this file.
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#ifndef PW_SETUP_H
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#define PW_SETUP_H
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#include "
source_io/module_parameter/parameter.h
"
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#include "
source_cell/unitcell.h
"
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#include "
source_basis/module_pw/pw_basis.h
"
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#include "
source_cell/klist.h
"
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#include "
source_basis/module_pw/pw_basis_k.h
"
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namespace
ModuleESolver
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{
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void
pw_setup
(
const
Input_para
& inp,
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const
UnitCell
& ucell,
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const
ModulePW::PW_Basis
& pw_rho,
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K_Vectors
& kv,
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ModulePW::PW_Basis_K
& pw_wfc);
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}
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#endif
K_Vectors
Definition
klist.h:13
ModulePW::PW_Basis_K
Special pw_basis class. It includes different k-points.
Definition
pw_basis_k.h:57
ModulePW::PW_Basis
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition
pw_basis.h:56
UnitCell
Definition
unitcell.h:16
ModuleESolver
plane wave basis
Definition
opt_test_tools.cpp:93
ModuleESolver::pw_setup
void pw_setup(const Input_para &inp, const UnitCell &ucell, const ModulePW::PW_Basis &pw_rho, K_Vectors &kv, ModulePW::PW_Basis_K &pw_wfc)
Definition
pw_setup.cpp:8
parameter.h
pw_basis.h
pw_basis_k.h
klist.h
Input_para
Definition
input_parameter.h:12
unitcell.h
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