diff --git a/source/source_lcao/module_operator_lcao/dspin_lcao.cpp b/source/source_lcao/module_operator_lcao/dspin_lcao.cpp index 3983d6285e0..b70381526e9 100644 --- a/source/source_lcao/module_operator_lcao/dspin_lcao.cpp +++ b/source/source_lcao/module_operator_lcao/dspin_lcao.cpp @@ -579,8 +579,10 @@ void hamilt::DeltaSpin>::cal_PI_sub( + kvec_d.z * bi_ad.R_index.z); const std::complex phase(cos(arg), sin(arg)); - for (const auto& [iw_global, nlm_vec] : bi_ad.nlm) + for (const auto& nlm_pair : bi_ad.nlm) { + const int iw_global = nlm_pair.first; + const std::vector& nlm_vec = nlm_pair.second; // Check if this global orbital index is in our local rows const int iw_local = this->paraV->global2local_row(iw_global); if (iw_local < 0) { continue;