From 24e7ba653a4bead94730ed395f8c6d4226d341d2 Mon Sep 17 00:00:00 2001
From: liiutao <74701833+A-006@users.noreply.github.com>
Date: Fri, 9 Aug 2024 16:55:59 +0800
Subject: [PATCH] fix bug (#4933)

---
 .../module_gint/gint_vl_cpu_interface.cpp                | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp
index 8fec419ab0..01368d329b 100644
--- a/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp
+++ b/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp
@@ -241,6 +241,15 @@ void Gint::gint_kernel_vlocal_meta(Gint_inout* inout) {
     const double dv = ucell.omega / this->ncxyz;
     const double delta_r = this->gridt->dr_uniform;
 
+    if (!GlobalV::GAMMA_ONLY_LOCAL) {
+        if (!pvpR_alloc_flag) {
+            ModuleBase::WARNING_QUIT("Gint_interface::cal_gint",
+                                     "pvpR has not been allocated yet!");
+        } else {
+            ModuleBase::GlobalFunc::ZEROS(this->pvpR_reduced[inout->ispin], nnrg);
+        }
+    }
+    
 #pragma omp parallel
 {
     // define HContainer here to reference.