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lines changed Original file line number Diff line number Diff line change @@ -59,6 +59,41 @@ void Exx_LRI<Tdata>::init(const MPI_Comm &mpi_comm_in,
5959 this ->lcaos , this ->abfs , this ->abfs_ccp ,
6060 this ->info .kmesh_times , this ->info .ccp_rmesh_times );
6161
62+ this ->cv .set_orbitals (ucell,
63+ orb,
64+ this ->lcaos ,
65+ this ->abfs ,
66+ this ->abfs_ccp ,
67+ this ->info .kmesh_times ,
68+ this ->MGT ,
69+ true ,
70+ true );
71+
72+ if (this ->info_ewald .use_ewald ) {
73+ if (this ->info .hybrid_beta ) {
74+ this ->abfs_ccp_sr = Conv_Coulomb_Pot_K::cal_orbs_ccp (
75+ this ->abfs ,
76+ Conv_Coulomb_Pot_K::Ccp_Type::Erfc,
77+ {{" hse_omega" , this ->info .hse_omega }},
78+ this ->info .ccp_rmesh_times );
79+ this ->sr_cv .set_orbitals (ucell, orb,
80+ this ->lcaos ,
81+ this ->abfs ,
82+ this ->abfs_ccp_sr ,
83+ this ->info .kmesh_times ,
84+ this ->MGT ,
85+ false ,
86+ false );
87+ }
88+ this ->evq .init (ucell, orb,
89+ this ->mpi_comm ,
90+ this ->p_kv ,
91+ this ->lcaos ,
92+ this ->abfs ,
93+ get_ccp_parameter (),
94+ this ->MGT );
95+ }
96+
6297 ModuleBase::timer::tick (" Exx_LRI" , " init" );
6398}
6499
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