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Atomic-orbital Based Ab-initio Computation at UStc
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source
source_pw
module_pwdft
setup_pwwfc.h
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#ifndef SETUP_PWWFC_H
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#define SETUP_PWWFC_H
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#include "
source_cell/unitcell.h
"
// cell information
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#include "
source_cell/klist.h
"
// k-points
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#include "
source_basis/module_pw/pw_basis.h
"
// pw_rho
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#include "
source_basis/module_pw/pw_basis_k.h
"
// pw_wfc
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struct
Input_para
;
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namespace
pw
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{
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void
teardown_pwwfc
(
ModulePW::PW_Basis_K
* &pw_wfc);
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void
setup_pwwfc
(
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:12
ModulePW::PW_Basis_K
Special pw_basis class. It includes different k-points.
Definition
pw_basis_k.h:56
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:15
pw
Definition
deltaspin_pw.cpp:7
pw::teardown_pwwfc
void teardown_pwwfc(ModulePW::PW_Basis_K *&pw_wfc)
Definition
setup_pwwfc.cpp:7
pw::setup_pwwfc
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
pw_basis.h
pw_basis_k.h
klist.h
Input_para
Definition
input_parameter.h:12
unitcell.h
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