Skip to content
10 changes: 10 additions & 0 deletions source/source_io/module_parameter/input_conv.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -413,6 +413,16 @@ void Input_Conv::Convert()
{"singularity_correction", PARAM.inp.exx_singularity_correction} }};
}
}
else if(PARAM.inp.basis_type == "pw" || PARAM.inp.basis_type == "lcao_in_pw")
{
GlobalC::exx_info.info_global.coulomb_param[Conv_Coulomb_Pot_K::Coulomb_Type::Erfc].resize(erfc_alpha.size());
for(std::size_t i=0; i<erfc_alpha.size(); ++i)
{
GlobalC::exx_info.info_global.coulomb_param[Conv_Coulomb_Pot_K::Coulomb_Type::Erfc] = {{
{"alpha", ModuleBase::GlobalFunc::TO_STRING(erfc_alpha[i])},
{"omega", ModuleBase::GlobalFunc::TO_STRING(PARAM.inp.exx_erfc_omega[i])} }};
}
}
}
}
#ifdef __EXX
Expand Down
Loading