From 2d149da3af529eba749700c00fe42be20112e04f Mon Sep 17 00:00:00 2001
From: Ziqing Guan <fisherd99@qq.com>
Date: Tue, 18 Aug 2026 21:14:20 +0800
Subject: [PATCH] fix: `get_pchg_lcao.cpp` with c^* c^T (#7821)

---
 source/module_elecstate/module_dm/cal_dm_psi.cpp | 4 ++--
 source/module_io/get_pchg_lcao.cpp               | 5 +++++
 2 files changed, 7 insertions(+), 2 deletions(-)

diff --git a/source/module_elecstate/module_dm/cal_dm_psi.cpp b/source/module_elecstate/module_dm/cal_dm_psi.cpp
index 47fbfbf8c33..3881ce5c2ce 100644
--- a/source/module_elecstate/module_dm/cal_dm_psi.cpp
+++ b/source/module_elecstate/module_dm/cal_dm_psi.cpp
@@ -182,7 +182,7 @@ void psiMulPsiMpi(const psi::Psi<std::complex<double>>& psi1,
                          const int* desc_psi,
                          const int* desc_dm)
 {
-    ModuleBase::timer::tick("psiMulPsiMpi", "pdgemm");
+    ModuleBase::timer::tick("psiMulPsiMpi", "pzgemm");
     const std::complex<double> one_complex = {1.0, 0.0}, zero_complex = {0.0, 0.0};
     const int one_int = 1;
     const char N_char = 'N', T_char = 'T';
@@ -207,7 +207,7 @@ void psiMulPsiMpi(const psi::Psi<std::complex<double>>& psi1,
             &one_int,
             &one_int,
             desc_dm);
-    ModuleBase::timer::tick("psiMulPsiMpi", "pdgemm");
+    ModuleBase::timer::tick("psiMulPsiMpi", "pzgemm");
 }
 
 #endif
diff --git a/source/module_io/get_pchg_lcao.cpp b/source/module_io/get_pchg_lcao.cpp
index 5a1b7598664..d2d0e9a7a23 100644
--- a/source/module_io/get_pchg_lcao.cpp
+++ b/source/module_io/get_pchg_lcao.cpp
@@ -535,6 +535,11 @@ void IState_Charge::idmatrix(const int& ib,
 
         this->psi_k->fix_k(ik);
         psi::Psi<std::complex<double>> wg_wfc(*this->psi_k, 1);
+        std::complex<double>* wg_wfc_ptr = wg_wfc.get_pointer();
+        for (int i = 0; i < wg_wfc.size(); ++i)
+        {
+            wg_wfc_ptr[i] = std::conj(wg_wfc_ptr[i]);
+        }
 
         for (int ir = 0; ir < wg_wfc.get_nbands(); ++ir)
         {