diff --git a/source/source_estate/module_pot/pot_xc.cpp b/source/source_estate/module_pot/pot_xc.cpp
index 4888380f23..c456b0b206 100644
--- a/source/source_estate/module_pot/pot_xc.cpp
+++ b/source/source_estate/module_pot/pot_xc.cpp
@@ -2,6 +2,7 @@
 
 #include "source_base/timer.h"
 #include "source_hamilt/module_xc/xc_functional.h"
+#include "source_io/module_parameter/parameter.h"
 
 #ifdef USE_LIBXC
 #include "source_hamilt/module_xc/libxc_abacus.h"
@@ -24,7 +25,8 @@ void PotXC::cal_v_eff(const Charge*const chg, const UnitCell*const ucell, Module
     {
 #ifdef USE_LIBXC
         const std::tuple<double, double, ModuleBase::matrix, ModuleBase::matrix> etxc_vtxc_v
-            = XC_Functional_Libxc::v_xc_meta(XC_Functional::get_func_id(), nrxx_current, ucell->omega, ucell->tpiba, chg);
+            = XC_Functional_Libxc::v_xc_meta(XC_Functional::get_func_id(), nrxx_current, ucell->omega, ucell->tpiba, chg,
+                                             PARAM.inp.nspin);
         *(this->etxc_) = std::get<0>(etxc_vtxc_v);
         *(this->vtxc_) = std::get<1>(etxc_vtxc_v);
         v_eff += std::get<2>(etxc_vtxc_v);
@@ -36,7 +38,10 @@ void PotXC::cal_v_eff(const Charge*const chg, const UnitCell*const ucell, Module
     else
     {
         const std::tuple<double, double, ModuleBase::matrix> etxc_vtxc_v
-            = XC_Functional::v_xc(nrxx_current, chg, ucell);
+            = XC_Functional::v_xc(nrxx_current, chg, ucell,
+                                  PARAM.inp.nspin,
+                                  PARAM.globalv.domag,
+                                  PARAM.globalv.domag_z);
         *(this->etxc_) = std::get<0>(etxc_vtxc_v);
         *(this->vtxc_) = std::get<1>(etxc_vtxc_v);
         v_eff += std::get<2>(etxc_vtxc_v);
diff --git a/source/source_estate/module_pot/pot_xc_fdm.cpp b/source/source_estate/module_pot/pot_xc_fdm.cpp
index d0a49cc101..aa950669d5 100644
--- a/source/source_estate/module_pot/pot_xc_fdm.cpp
+++ b/source/source_estate/module_pot/pot_xc_fdm.cpp
@@ -5,6 +5,7 @@
 
 #include "pot_xc_fdm.h"
 #include "source_hamilt/module_xc/xc_functional.h"
+#include "source_io/module_parameter/parameter.h"
 
 namespace elecstate
 {
@@ -20,7 +21,10 @@ PotXC_FDM::PotXC_FDM(
 	this->fixed_mode = false;
 
 	const std::tuple<double, double, ModuleBase::matrix> etxc_vtxc_v_0
-		= XC_Functional::v_xc(this->chg_0->nrxx, this->chg_0, ucell);
+		= XC_Functional::v_xc(this->chg_0->nrxx, this->chg_0, ucell,
+							  PARAM.inp.nspin,
+							  PARAM.globalv.domag,
+							  PARAM.globalv.domag_z);
 	this->v_xc_0 = std::get<2>(etxc_vtxc_v_0);
 }
 
@@ -47,7 +51,10 @@ void PotXC_FDM::cal_v_eff(
 	}
 
 	const std::tuple<double, double, ModuleBase::matrix> etxc_vtxc_v_01
-		= XC_Functional::v_xc(chg_01.nrxx, &chg_01, ucell);
+		= XC_Functional::v_xc(chg_01.nrxx, &chg_01, ucell,
+							  PARAM.inp.nspin,
+							  PARAM.globalv.domag,
+							  PARAM.globalv.domag_z);
 	const ModuleBase::matrix &v_xc_01 = std::get<2>(etxc_vtxc_v_01);
 
 	v_eff += v_xc_01 - this->v_xc_0;
diff --git a/source/source_hamilt/module_xc/libxc_abacus.h b/source/source_hamilt/module_xc/libxc_abacus.h
index 652293cd22..984e34e539 100644
--- a/source/source_hamilt/module_xc/libxc_abacus.h
+++ b/source/source_hamilt/module_xc/libxc_abacus.h
@@ -60,7 +60,10 @@ namespace XC_Functional_Libxc
         const double &omega, // volume of cell
         const double tpiba,
         const Charge* const chr, // charge density
-        const std::map<int, double>* scaling_factor = nullptr); // added by jghan, 2024-10-10
+        const std::map<int, double>* scaling_factor = nullptr, // added by jghan, 2024-10-10
+        const int nspin = 1,
+        const bool domag = false,
+        const bool domag_z = false);
 
     // for mGGA functional
     extern std::tuple<double, double, ModuleBase::matrix, ModuleBase::matrix> v_xc_meta(
@@ -68,7 +71,8 @@ namespace XC_Functional_Libxc
         const int &nrxx, // number of real-space grid
         const double &omega, // volume of cell
         const double tpiba,
-        const Charge* const chr);
+        const Charge* const chr,
+        const int nspin = 1);
 
 
 //-------------------
diff --git a/source/source_hamilt/module_xc/libxc_pot.cpp b/source/source_hamilt/module_xc/libxc_pot.cpp
index 9ff7190764..60f6ee6a79 100644
--- a/source/source_hamilt/module_xc/libxc_pot.cpp
+++ b/source/source_hamilt/module_xc/libxc_pot.cpp
@@ -19,13 +19,16 @@ std::tuple<double,double,ModuleBase::matrix> XC_Functional_Libxc::v_xc_libxc(		/
         const double &omega, // volume of cell
         const double tpiba,
         const Charge* const chr,
-        const std::map<int, double>* scaling_factor)
+        const std::map<int, double>* scaling_factor,
+        const int nspin_in,
+        const bool domag,
+        const bool domag_z)
 {
     ModuleBase::TITLE("XC_Functional_Libxc","v_xc_libxc");
     ModuleBase::timer::start("XC_Functional_Libxc","v_xc_libxc");
 
     const int nspin =
-        (PARAM.inp.nspin == 1 || ( PARAM.inp.nspin ==4 && !PARAM.globalv.domag && !PARAM.globalv.domag_z))
+        (nspin_in == 1 || ( nspin_in ==4 && !domag && !domag_z))
         ? 1 : 2;
 
     //----------------------------------------------------------
@@ -56,7 +59,7 @@ std::tuple<double,double,ModuleBase::matrix> XC_Functional_Libxc::v_xc_libxc(		/
     // converting rho
     std::vector<double> rho;
     std::vector<double> amag;
-    if(1==nspin || 2==PARAM.inp.nspin)
+    if(1==nspin || 2==nspin_in)
     {
         rho = XC_Functional_Libxc::convert_rho(nspin, nrxx, chr);
     }
@@ -167,7 +170,7 @@ std::tuple<double,double,ModuleBase::matrix> XC_Functional_Libxc::v_xc_libxc(		/
         v += std::get<1>(vtxc_v) * factor;
     } // end for( xc_func_type &func : funcs )
 
-    if(4==PARAM.inp.nspin)
+    if(4==nspin_in)
     {
         v = XC_Functional_Libxc::convert_v_nspin4(nrxx, chr, amag, v);
     }
@@ -207,7 +210,8 @@ std::tuple<double,double,ModuleBase::matrix,ModuleBase::matrix> XC_Functional_Li
     const int &nrxx, // number of real-space grid
     const double &omega, // volume of cell
     const double tpiba,
-    const Charge* const chr)
+    const Charge* const chr,
+    const int nspin)
 {
     ModuleBase::TITLE("XC_Functional_Libxc","v_xc_meta");
     ModuleBase::timer::start("XC_Functional_Libxc","v_xc_meta");
@@ -217,8 +221,8 @@ std::tuple<double,double,ModuleBase::matrix,ModuleBase::matrix> XC_Functional_Li
     //output of the subroutine
     double etxc = 0.0;
     double vtxc = 0.0;
-    ModuleBase::matrix v(PARAM.inp.nspin,nrxx);
-    ModuleBase::matrix vofk(PARAM.inp.nspin,nrxx);
+    ModuleBase::matrix v(nspin,nrxx);
+    ModuleBase::matrix vofk(nspin,nrxx);
 
     //----------------------------------------------------------
     // xc_func_type is defined in Libxc package
@@ -226,8 +230,6 @@ std::tuple<double,double,ModuleBase::matrix,ModuleBase::matrix> XC_Functional_Li
     // use can check on website, for example:
     // https://www.tddft.org/programs/libxc/manual/libxc-5.1.x/
     //----------------------------------------------------------
-
-    const int nspin = PARAM.inp.nspin;
     std::vector<xc_func_type> funcs = XC_Functional_Libxc::init_func(
         /* func_id = */ func_id, 
         /* xc_polarized = */ (1==nspin) ? XC_UNPOLARIZED:XC_POLARIZED);
diff --git a/source/source_hamilt/module_xc/test/test_xc3.cpp b/source/source_hamilt/module_xc/test/test_xc3.cpp
index 96a67e785c..d12182c838 100644
--- a/source/source_hamilt/module_xc/test/test_xc3.cpp
+++ b/source/source_hamilt/module_xc/test/test_xc3.cpp
@@ -1,8 +1,5 @@
 #include "gtest/gtest.h"
 #include "xctest.h"
-#define private public
-#include "source_io/module_parameter/parameter.h"
-#undef private
 #include "../xc_functional.h"
 #include "../exx_info.h"
 #include "xc3_mock.h"
@@ -82,19 +79,15 @@ class XCTest_GRADCORR : public XCTest
             v4.create(4,5);
             v4.zero_out();
 
-            XC_Functional::set_xc_type("PBE");
+            XC_Functional::set_xc_type("PBE", 1);
 
-            PARAM.input.nspin = 1;
-            XC_Functional::gradcorr(et1,vt1,v1,&chr,&rhopw,&ucell,stress1,false);
-            XC_Functional::gradcorr(et1,vt1,v1,&chr,&rhopw,&ucell,stress1,true);
+            XC_Functional::gradcorr(et1,vt1,v1,&chr,&rhopw,&ucell,stress1,false,1,false,false);
+            XC_Functional::gradcorr(et1,vt1,v1,&chr,&rhopw,&ucell,stress1,true,1,false,false);
 
-            PARAM.input.nspin = 2;
-            XC_Functional::gradcorr(et2,vt2,v2,&chr,&rhopw,&ucell,stress2,false);
-            XC_Functional::gradcorr(et2,vt2,v2,&chr,&rhopw,&ucell,stress2,true);
+            XC_Functional::gradcorr(et2,vt2,v2,&chr,&rhopw,&ucell,stress2,false,2,false,false);
+            XC_Functional::gradcorr(et2,vt2,v2,&chr,&rhopw,&ucell,stress2,true,2,false,false);
 
-            PARAM.input.nspin = 4;
-            PARAM.sys.domag = true;
-            XC_Functional::gradcorr(et4,vt4,v4,&chr,&rhopw,&ucell,stress4,false); 
+            XC_Functional::gradcorr(et4,vt4,v4,&chr,&rhopw,&ucell,stress4,false,4,true,false);
         }
 };
 
diff --git a/source/source_hamilt/module_xc/test/test_xc5.cpp b/source/source_hamilt/module_xc/test/test_xc5.cpp
index 469b3dcc20..ac85bed5dd 100644
--- a/source/source_hamilt/module_xc/test/test_xc5.cpp
+++ b/source/source_hamilt/module_xc/test/test_xc5.cpp
@@ -1,9 +1,6 @@
 #include "../xc_functional.h"
 #include "../libxc_abacus.h"
 #include "gtest/gtest.h"
-#define private public
-#include "source_io/module_parameter/parameter.h"
-#undef private
 #include "xctest.h"
 #include "../exx_info.h"
 #include "xc3_mock.h"
@@ -73,18 +70,16 @@ class XCTest_VXC : public XCTest
                 rhopw.gcar[i]= 1;
             }
 
-            XC_Functional::set_xc_type("PBE");
+            XC_Functional::set_xc_type("PBE", 1);
 
-            PARAM.input.nspin = 1;
             std::tuple<double, double, ModuleBase::matrix> etxc_vtxc_v
-                = XC_Functional::v_xc(rhopw.nrxx,&chr,&ucell);
+                = XC_Functional::v_xc(rhopw.nrxx,&chr,&ucell,1,false,false);
             et1 = std::get<0>(etxc_vtxc_v);
             vt1 = std::get<1>(etxc_vtxc_v);
             v1  = std::get<2>(etxc_vtxc_v);
 
-            PARAM.input.nspin = 2;
             etxc_vtxc_v
-                = XC_Functional::v_xc(rhopw.nrxx,&chr,&ucell);
+                = XC_Functional::v_xc(rhopw.nrxx,&chr,&ucell,2,false,false);
             et2 = std::get<0>(etxc_vtxc_v);
             vt2 = std::get<1>(etxc_vtxc_v);
             v2  = std::get<2>(etxc_vtxc_v);
@@ -171,18 +166,16 @@ class XCTest_VXC_Libxc : public XCTest
                 rhopw.gcar[i]= 1;
             }
 
-            XC_Functional::set_xc_type("GGA_X_PBE+GGA_C_PBE");
+            XC_Functional::set_xc_type("GGA_X_PBE+GGA_C_PBE", 1);
 
-            PARAM.input.nspin = 1;
             std::tuple<double, double, ModuleBase::matrix> etxc_vtxc_v
-                = XC_Functional::v_xc(rhopw.nrxx,&chr,&ucell);
+                = XC_Functional::v_xc(rhopw.nrxx,&chr,&ucell,1,false,false);
             et1 = std::get<0>(etxc_vtxc_v);
             vt1 = std::get<1>(etxc_vtxc_v);
             v1  = std::get<2>(etxc_vtxc_v);
 
-            PARAM.input.nspin = 2;
             etxc_vtxc_v
-                = XC_Functional::v_xc(rhopw.nrxx,&chr,&ucell);
+                = XC_Functional::v_xc(rhopw.nrxx,&chr,&ucell,2,false,false);
             et2 = std::get<0>(etxc_vtxc_v);
             vt2 = std::get<1>(etxc_vtxc_v);
             v2  = std::get<2>(etxc_vtxc_v);
@@ -279,19 +272,17 @@ class XCTest_VXC_meta : public XCTest
             chr.kin_r[1][3] = 0.51340429824;
             chr.kin_r[1][4] = 0.51141731056;
 
-            XC_Functional::set_xc_type("SCAN");
+            XC_Functional::set_xc_type("SCAN", 1);
 
-            PARAM.input.nspin = 1;
             std::tuple<double, double, ModuleBase::matrix, ModuleBase::matrix> etxc_vtxc_v
-                = XC_Functional_Libxc::v_xc_meta(XC_Functional::get_func_id(), rhopw.nrxx,ucell.omega,ucell.tpiba,&chr);
+                = XC_Functional_Libxc::v_xc_meta(XC_Functional::get_func_id(), rhopw.nrxx,ucell.omega,ucell.tpiba,&chr,1);
             et1 = std::get<0>(etxc_vtxc_v);
             vt1 = std::get<1>(etxc_vtxc_v);
             v1  = std::get<2>(etxc_vtxc_v);
             vtau1 = std::get<3>(etxc_vtxc_v);
 
-            PARAM.input.nspin = 2;
             etxc_vtxc_v
-                = XC_Functional_Libxc::v_xc_meta(XC_Functional::get_func_id(), rhopw.nrxx,ucell.omega,ucell.tpiba,&chr);
+                = XC_Functional_Libxc::v_xc_meta(XC_Functional::get_func_id(), rhopw.nrxx,ucell.omega,ucell.tpiba,&chr,2);
             et2 = std::get<0>(etxc_vtxc_v);
             vt2 = std::get<1>(etxc_vtxc_v);
             v2  = std::get<2>(etxc_vtxc_v);
diff --git a/source/source_hamilt/module_xc/test/xctest.h b/source/source_hamilt/module_xc/test/xctest.h
index 07ae4512c3..608edbe72b 100644
--- a/source/source_hamilt/module_xc/test/xctest.h
+++ b/source/source_hamilt/module_xc/test/xctest.h
@@ -1,17 +1,9 @@
 #ifndef XCTEST_H
 #define XCTEST_H
 #include "gtest/gtest.h"
-#define private public
-#include "source_io/module_parameter/parameter.h"
-#undef private
 class XCTest: public testing::Test
 {
     public:
-        XCTest()
-        {
-            PARAM.input.basis_type = "";
-            PARAM.input.cal_force = 0;
-            PARAM.input.cal_stress = 0;
-        }
+        XCTest() {}
 };
 #endif
\ No newline at end of file
diff --git a/source/source_hamilt/module_xc/xc_functional.cpp b/source/source_hamilt/module_xc/xc_functional.cpp
index a2042b6933..bb964ad7d9 100644
--- a/source/source_hamilt/module_xc/xc_functional.cpp
+++ b/source/source_hamilt/module_xc/xc_functional.cpp
@@ -57,7 +57,9 @@ method. */
 
 // The setting values of functional id according to the index in LIBXC
 // for detail, refer to https://www.tddft.org/programs/libxc/functionals/
-void XC_Functional::set_xc_type(const std::string xc_func_in)
+void XC_Functional::set_xc_type(const std::string xc_func_in,
+                                const int nspin /*= 1*/,
+                                const std::string basis_type /*= "pw"*/)
 {
     ModuleBase::TITLE("XC_Functional", "set_xc_type");
     //Note : due to the separation of gcx_spin and gcc_spin,
@@ -301,17 +303,17 @@ void XC_Functional::set_xc_type(const std::string xc_func_in)
         std::cerr << "\n OPTX untested please test,";
     }
 
-    // if((func_type == 4 || func_type == 5) && PARAM.inp.basis_type == "pw")
+    // if((func_type == 4 || func_type == 5) && basis_type == "pw")
     // {
     //     ModuleBase::WARNING_QUIT("set_xc_type","hybrid functional not realized for planewave yet");
     // }
-    if((func_type == 3 || func_type == 5) && PARAM.inp.nspin==4)
+    if((func_type == 3 || func_type == 5) && nspin==4)
     {
         ModuleBase::WARNING_QUIT("set_xc_type","meta-GGA has not been implemented for nspin = 4 yet");
     }
 
 #ifndef __EXX
-    if((func_type == 4 || func_type == 5) && PARAM.inp.basis_type == "lcao")
+    if((func_type == 4 || func_type == 5) && basis_type == "lcao")
     {
         ModuleBase::WARNING_QUIT("set_xc_type","compile with libri to use hybrid functional in lcao basis");
     }
diff --git a/source/source_hamilt/module_xc/xc_functional.h b/source/source_hamilt/module_xc/xc_functional.h
index 37695900a9..715fcf1ca0 100644
--- a/source/source_hamilt/module_xc/xc_functional.h
+++ b/source/source_hamilt/module_xc/xc_functional.h
@@ -47,7 +47,10 @@ class XC_Functional
     static std::tuple<double, double, ModuleBase::matrix> v_xc(
         const int &nrxx, // number of real-space grid
         const Charge* const chr,
-        const UnitCell *ucell); // charge density
+        const UnitCell *ucell, // charge density
+        const int nspin,
+        const bool domag = false,
+        const bool domag_z = false);
 
 //-------------------
 //  xc_functional.cpp
@@ -67,7 +70,9 @@ class XC_Functional
         return func_type;
     };
 
-    static void set_xc_type(const std::string xc_func_in);
+    static void set_xc_type(const std::string xc_func_in,
+                          const int nspin = 1,
+                          const std::string basis_type = "pw");
 
     // For hybrid functional
     static void set_hybrid_alpha(const double alpha_in);
@@ -206,7 +211,10 @@ class XC_Functional
         ModulePW::PW_Basis* rhopw,
         const UnitCell* ucell,
         std::vector<double>& stress_gga,
-        const bool is_stress = false);
+        const bool is_stress = false,
+        const int nspin = 1,
+        const bool domag = false,
+        const bool domag_z = false);
     template <typename T, typename Device,
               typename Real = typename GetTypeReal<T>::type>
 
diff --git a/source/source_hamilt/module_xc/xc_grad.cpp b/source/source_hamilt/module_xc/xc_grad.cpp
index 0129662543..1044c9197b 100644
--- a/source/source_hamilt/module_xc/xc_grad.cpp
+++ b/source/source_hamilt/module_xc/xc_grad.cpp
@@ -32,7 +32,10 @@ void XC_Functional::gradcorr(
     ModulePW::PW_Basis* rhopw,
     const UnitCell *ucell,
     std::vector<double> &stress_gga,
-    const bool is_stress)
+    const bool is_stress,
+    const int nspin,
+    const bool domag,
+    const bool domag_z)
 {
     ModuleBase::TITLE("XC_Functional","gradcorr");
 
@@ -47,12 +50,12 @@ void XC_Functional::gradcorr(
         igcc_is_lyp = true;
     }
 
-    int nspin0 = PARAM.inp.nspin;
-    if(PARAM.inp.nspin==4)
+    int nspin0 = nspin;
+    if(nspin==4)
     {
         nspin0 =1;
     }
-    if(PARAM.inp.nspin==4&&(PARAM.globalv.domag||PARAM.globalv.domag_z))
+    if(nspin==4&&(domag||domag_z))
     {
         nspin0 = 2;
     }
@@ -71,7 +74,7 @@ void XC_Functional::gradcorr(
 
     // doing FFT to get rho in G space: rhog1
     rhopw->real2recip(chr->rho[0], chr->rhog[0]);
-    if(PARAM.inp.nspin==2)
+    if(nspin==2)
     {
         rhopw->real2recip(chr->rho[1], chr->rhog[1]);
     }
@@ -120,7 +123,7 @@ void XC_Functional::gradcorr(
 
     // for spin polarized case;
     // calculate the gradient of (rho_core+rho) in reciprocal space.
-    if(PARAM.inp.nspin==2)
+    if(nspin==2)
     {
         rhotmp2 = new double[rhopw->nrxx];
         rhogsum2 = new std::complex<double>[rhopw->npw];
@@ -148,7 +151,7 @@ void XC_Functional::gradcorr(
         XC_Functional::grad_rho( rhogsum2 , gdr2, rhopw, ucell->tpiba);
     }
 
-    if(PARAM.inp.nspin == 4&&(PARAM.globalv.domag||PARAM.globalv.domag_z))
+    if(nspin == 4&&(domag||domag_z))
     {
         rhotmp2 = new double[rhopw->nrxx];
         rhogsum2 = new std::complex<double>[rhopw->npw];
@@ -172,15 +175,15 @@ void XC_Functional::gradcorr(
         }
         if(!is_stress)
         {
-            vsave = new double* [PARAM.inp.nspin];
-            for(int is = 0;is<PARAM.inp.nspin;is++)
+            vsave = new double* [nspin];
+            for(int is = 0;is<nspin;is++)
             {
                 vsave[is]= new double [rhopw->nrxx];
             }
 #ifdef _OPENMP
 #pragma omp parallel for collapse(2) schedule(static, 1024)
 #endif
-            for(int is = 0;is<PARAM.inp.nspin;is++)
+            for(int is = 0;is<nspin;is++)
             {
                 for(int ir =0;ir<rhopw->nrxx;ir++)
                 {
@@ -445,7 +448,7 @@ void XC_Functional::gradcorr(
                         else
                         {
                             double zeta = ( rhotmp1[ir] - rhotmp2[ir] ) / rh;
-                            if(PARAM.inp.nspin==4&&(PARAM.globalv.domag||PARAM.globalv.domag_z))
+                            if(nspin==4&&(domag||domag_z))
                             {
                                 zeta = fabs(zeta) * neg[ir];
                             }
@@ -606,12 +609,12 @@ void XC_Functional::gradcorr(
         vtxc += vtxcgc;
         etxc += etxcgc;
 
-        if(PARAM.inp.nspin == 4 && (PARAM.globalv.domag||PARAM.globalv.domag_z))
+        if(nspin == 4 && (domag||domag_z))
         {
 #ifdef _OPENMP
 #pragma omp parallel for collapse(2) schedule(static, 1024)
 #endif
-            for(int is=0;is<PARAM.inp.nspin;is++)
+            for(int is=0;is<nspin;is++)
             {
                 for(int ir=0;ir<rhopw->nrxx;ir++)
                 {
@@ -648,7 +651,7 @@ void XC_Functional::gradcorr(
         delete[] h1;
     }
 
-    if(PARAM.inp.nspin==2)
+    if(nspin==2)
     {
         delete[] rhotmp2;
         delete[] rhogsum2;
@@ -658,7 +661,7 @@ void XC_Functional::gradcorr(
             delete[] h2;
         }
     }
-    if(PARAM.inp.nspin == 4 && (PARAM.globalv.domag||PARAM.globalv.domag_z))
+    if(nspin == 4 && (domag||domag_z))
     {
         delete[] neg;
         if(!is_stress)
@@ -668,7 +671,7 @@ void XC_Functional::gradcorr(
                 delete[] vgg[i];
             }
             delete[] vgg;
-            for(int i=0; i<PARAM.inp.nspin; i++)
+            for(int i=0; i<nspin; i++)
             {
                 delete[] vsave[i];
             }
diff --git a/source/source_hamilt/module_xc/xc_pot.cpp b/source/source_hamilt/module_xc/xc_pot.cpp
index 93a06fd102..53d27dc7a7 100644
--- a/source/source_hamilt/module_xc/xc_pot.cpp
+++ b/source/source_hamilt/module_xc/xc_pot.cpp
@@ -17,7 +17,10 @@
 std::tuple<double, double, ModuleBase::matrix> XC_Functional::v_xc(
     const int& nrxx,
     const Charge* const chr,
-    const UnitCell* ucell)
+    const UnitCell* ucell,
+    const int nspin,
+    const bool domag,
+    const bool domag_z)
 {
     ModuleBase::TITLE("XC_Functional", "v_xc");
 
@@ -29,7 +32,10 @@ std::tuple<double, double, ModuleBase::matrix> XC_Functional::v_xc(
                                                ucell->omega,
                                                ucell->tpiba,
                                                chr,
-                                               &(scaling_factor_xc));
+                                               &(scaling_factor_xc),
+                                               nspin,
+                                               domag,
+                                               domag_z);
 #else
         ModuleBase::WARNING_QUIT("v_xc", "compile with LIBXC");
 #endif
@@ -40,14 +46,14 @@ std::tuple<double, double, ModuleBase::matrix> XC_Functional::v_xc(
     //Exchange-Correlation potential Vxc(r) from n(r)
     double etxc = 0.0;
     double vtxc = 0.0;
-    ModuleBase::matrix v(PARAM.inp.nspin, nrxx);
+    ModuleBase::matrix v(nspin, nrxx);
 
     // the square of the e charge
     // in Rydeberg unit, so * 2.0.
     double e2 = 2.0;
     double vanishing_charge = 1.0e-10;
 
-    if (PARAM.inp.nspin == 1 || ( PARAM.inp.nspin ==4 && !PARAM.globalv.domag && !PARAM.globalv.domag_z))
+    if (nspin == 1 || ( nspin ==4 && !domag && !domag_z))
     {
         // spin-unpolarized case
 #ifdef _OPENMP
@@ -71,7 +77,7 @@ std::tuple<double, double, ModuleBase::matrix> XC_Functional::v_xc(
             } // endif
         } //enddo
     }
-    else if(PARAM.inp.nspin ==2)
+    else if(nspin ==2)
     {
         // spin-polarized case
 #ifdef _OPENMP
@@ -97,7 +103,7 @@ std::tuple<double, double, ModuleBase::matrix> XC_Functional::v_xc(
                 double vxc[2];
                 XC_Functional::xc_spin(arhox, zeta, exc, vxc[0], vxc[1]);
 
-                for (int is = 0;is < PARAM.inp.nspin;is++)
+                for (int is = 0;is < nspin;is++)
                 {
                     v(is, ir) = e2 * vxc[is];
                 }
@@ -107,7 +113,7 @@ std::tuple<double, double, ModuleBase::matrix> XC_Functional::v_xc(
             }
         }
     }
-    else if(PARAM.inp.nspin == 4)
+    else if(nspin == 4)
     {
 #ifdef _OPENMP
 #pragma omp parallel for reduction(+:etxc) reduction(+:vtxc)
@@ -171,7 +177,7 @@ std::tuple<double, double, ModuleBase::matrix> XC_Functional::v_xc(
     // the dummy variable dum contains gradient correction to stress
     // which is not used here
     std::vector<double> dum;
-    gradcorr(etxc, vtxc, v, chr, chr->rhopw, ucell, dum);
+    gradcorr(etxc, vtxc, v, chr, chr->rhopw, ucell, dum, false, nspin, domag, domag_z);
 
     // parallel code : collect vtxc,etxc
     // mohan add 2008-06-01
diff --git a/source/source_pw/module_pwdft/forces_cc.cpp b/source/source_pw/module_pwdft/forces_cc.cpp
index 45f7ea2fb1..41322e62e5 100644
--- a/source/source_pw/module_pwdft/forces_cc.cpp
+++ b/source/source_pw/module_pwdft/forces_cc.cpp
@@ -60,7 +60,8 @@ void Forces<FPTYPE, Device>::cal_force_cc(ModuleBase::matrix& forcecc,
     {
 #ifdef USE_LIBXC
         const auto etxc_vtxc_v
-            = XC_Functional_Libxc::v_xc_meta(XC_Functional::get_func_id(), rho_basis->nrxx, ucell_in.omega, ucell_in.tpiba, chr);
+            = XC_Functional_Libxc::v_xc_meta(XC_Functional::get_func_id(), rho_basis->nrxx, ucell_in.omega, ucell_in.tpiba, chr,
+                                             PARAM.inp.nspin);
 
         // etxc = std::get<0>(etxc_vtxc_v);
         // vtxc = std::get<1>(etxc_vtxc_v);
@@ -72,7 +73,10 @@ void Forces<FPTYPE, Device>::cal_force_cc(ModuleBase::matrix& forcecc,
     else
     {
         elecstate::cal_ux(ucell_in);
-        const auto etxc_vtxc_v = XC_Functional::v_xc(rho_basis->nrxx, chr, &ucell_in);
+        const auto etxc_vtxc_v = XC_Functional::v_xc(rho_basis->nrxx, chr, &ucell_in,
+                                              PARAM.inp.nspin,
+                                              PARAM.globalv.domag,
+                                              PARAM.globalv.domag_z);
 
         // etxc = std::get<0>(etxc_vtxc_v);
         // vtxc = std::get<1>(etxc_vtxc_v);
diff --git a/source/source_pw/module_pwdft/stress_cc.cpp b/source/source_pw/module_pwdft/stress_cc.cpp
index bc986cdda7..3b0f291e88 100644
--- a/source/source_pw/module_pwdft/stress_cc.cpp
+++ b/source/source_pw/module_pwdft/stress_cc.cpp
@@ -55,7 +55,8 @@ void Stress_Func<FPTYPE, Device>::stress_cc(ModuleBase::matrix& sigma,
     {
 #ifdef USE_LIBXC
         const auto etxc_vtxc_v
-            = XC_Functional_Libxc::v_xc_meta(XC_Functional::get_func_id(), rho_basis->nrxx, ucell.omega, ucell.tpiba, chr);
+            = XC_Functional_Libxc::v_xc_meta(XC_Functional::get_func_id(), rho_basis->nrxx, ucell.omega, ucell.tpiba, chr,
+                                             PARAM.inp.nspin);
 
         // etxc = std::get<0>(etxc_vtxc_v);
         // vtxc = std::get<1>(etxc_vtxc_v);
@@ -67,7 +68,10 @@ void Stress_Func<FPTYPE, Device>::stress_cc(ModuleBase::matrix& sigma,
 	else
 	{
 		elecstate::cal_ux(ucell);
-        const auto etxc_vtxc_v = XC_Functional::v_xc(rho_basis->nrxx, chr, &ucell);
+        const auto etxc_vtxc_v = XC_Functional::v_xc(rho_basis->nrxx, chr, &ucell,
+                                              PARAM.inp.nspin,
+                                              PARAM.globalv.domag,
+                                              PARAM.globalv.domag_z);
         // etxc = std::get<0>(etxc_vtxc_v); // may delete?
         // vtxc = std::get<1>(etxc_vtxc_v); // may delete?
         vxc = std::get<2>(etxc_vtxc_v);