deepmodeling · mohanchen · Jan 28, 2026 · Jan 23, 2026 · Jan 23, 2026 · Jan 24, 2026
diff --git a/source/source_base/math_chebyshev.cpp b/source/source_base/math_chebyshev.cpp
@@ -417,7 +417,7 @@ void Chebyshev<REAL, Device>::calfinalvec_real(
     std::complex<REAL>* arrayn = nullptr;
     std::complex<REAL>* arrayn_1 = nullptr;
     assert(N >= 0 && LDA >= N);
-    int ndmxt;
+    int ndmxt = 0;
     if (m == 1)
     {
         ndmxt = N * m;
@@ -486,7 +486,7 @@ void Chebyshev<REAL, Device>::calfinalvec_complex(
     std::complex<REAL>* arrayn = nullptr;
     std::complex<REAL>* arrayn_1 = nullptr;
     assert(N >= 0 && LDA >= N);
-    int ndmxt;
+    int ndmxt = 0;
     if (m == 1)
     {
         ndmxt = N * m;
@@ -585,7 +585,7 @@ void Chebyshev<REAL, Device>::tracepolyA(
     std::complex<REAL>* arrayn = nullptr;
     std::complex<REAL>* arrayn_1 = nullptr;
     assert(N >= 0 && LDA >= N);
-    int ndmxt;
+    int ndmxt = 0;
     if (m == 1)
     {
         ndmxt = N * m;

diff --git a/source/source_base/math_erf_complex.cpp b/source/source_base/math_erf_complex.cpp
@@ -106,7 +106,7 @@ std::complex<double> ErrorFunc::scaled_w(std::complex<double> z, double relerr)
     else if (x < 10)
     {
         double prod2ax = 1, prodm2ax = 1;
-        double expx2;
+        double expx2 = 0.0;
 
         if (std::isnan(y))
             return std::complex<double>(y, y);
@@ -235,7 +235,7 @@ std::complex<double> ErrorFunc::scaled_w(std::complex<double> z, double relerr)
         sum3 = std::exp(-dx * dx) / (a2 * (n0 * n0) + y * y);
         sum5 = a * n0 * sum3;
         double exp1 = std::exp(4 * a * dx), exp1dn = 1;
-        int dn;
+        int dn = 0;
         for (dn = 1; n0 - dn > 0; ++dn)
         { // loop over n0-dn and n0+dn terms
             double np = n0 + dn, nm = n0 - dn;

diff --git a/source/source_base/math_ylmreal.cpp b/source/source_base/math_ylmreal.cpp
@@ -179,7 +179,7 @@ void YlmReal::rlylm
 				{
 					int twok = 2 * ik;
 
-					double gamma;
+					double gamma = 0.0;
 					double aux0, aux1, aux2, aux3;
 
 					aux0 = pow(-1.0, ik) * pow(2.0, -il);

diff --git a/source/source_base/tool_check.cpp b/source/source_base/tool_check.cpp
@@ -49,7 +49,7 @@ void CHECK_INT(std::ifstream &ifs,const int &v,bool quit)
 void CHECK_DOUBLE(std::ifstream &ifs,const double &v,bool quit)
 {
 	const double tiny = 1.0e-5;
-	double v_in;
+	double v_in = 0.0;
 	ifs >> v_in;
 	if( fabs(v - v_in) > tiny )
 	{

diff --git a/source/source_base/tool_quit.cpp b/source/source_base/tool_quit.cpp
@@ -65,7 +65,7 @@ void WARNING_QUIT(const std::string &file,const std::string &description)
 
 	#ifdef __MPI /* if it is MPI run, finalize first, then exit */
 	std::cout << "Detecting if MPI has been initialized..." << std::endl;
-	int is_initialized;
+	int is_initialized = 0;
     MPI_Initialized(&is_initialized);
 	if (is_initialized) {
 		std::cout << "Terminating ABACUS with multiprocessing environment." << std::endl;

diff --git a/source/source_base/ylm.cpp b/source/source_base/ylm.cpp
@@ -474,7 +474,7 @@ void Ylm::rlylm
 				{
 					int twok = 2 * ik;
 
-					double gamma;
+					double gamma = 0.0;
 					double aux0, aux1, aux2, aux3;
 
 					aux0 = pow(-1.0, ik) * pow(2.0, -il);
@@ -1107,7 +1107,7 @@ void Ylm::hes_rl_sph_harm
 	hrly.resize( (Lmax+1)*(Lmax+1), std::vector<double>(6) );
 
 	double radius2 = x*x+y*y+z*z;
-	double coeff;
+	double coeff = 0.0;
 
 	//begin calculation
 	/***************************
@@ -1867,7 +1867,7 @@ void Ylm::rlylm
 				{
 					int twok = 2 * ik;
 
-					double gamma;
+					double gamma = 0.0;
 					double aux0, aux1, aux2, aux3;
 
 					aux0 = pow(-1.0, ik) * pow(2.0, -il);

diff --git a/source/source_cell/klist.cpp b/source/source_cell/klist.cpp
@@ -466,7 +466,7 @@ void K_Vectors::interpolate_k_between(std::ifstream& ifk, std::vector<ModuleBase
 
 double K_Vectors::Monkhorst_Pack_formula(const int& k_type, const double& offset, const int& n, const int& dim)
 {
-    double coordinate;
+    double coordinate = 0.0;
     if (k_type == 1)
     {
         coordinate = (offset + 2.0 * (double)n - (double)dim - 1.0) / (2.0 * (double)dim);

diff --git a/source/source_cell/read_pp_blps.cpp b/source/source_cell/read_pp_blps.cpp
@@ -24,8 +24,8 @@ int Pseudopot_upf::read_pseudo_blps(std::ifstream &ifs, Atom_pseudo& pp)
     // if(!SCAN_BEGIN(ifs,"BLPS")) WARNING_QUIT("read_pp_blps","Find no PP_HEADER");
     ifs.ignore(300, '\n');
 
-    double zatom;
-    double zion;
+    double zatom = 0.0;
+    double zion = 0.0;
     ifs >> zatom >> zion;
     pp.zv = zion;
     ifs.ignore(300, '\n');

diff --git a/source/source_cell/read_pp_upf100.cpp b/source/source_cell/read_pp_upf100.cpp
@@ -326,7 +326,7 @@ void Pseudopot_upf::read_pseudo_nl(std::ifstream& ifs, Atom_pseudo& pp)
         ModuleBase::GlobalFunc::READ_VALUE(ifs, this->nd); // nl_4
         for (int i = 0; i < this->nd; i++)
         {
-            double swap;
+            double swap = 0.0;
             ifs >> nb >> mb >> swap;
             nb--;
             mb--;

diff --git a/source/source_cell/read_pp_upf201.cpp b/source/source_cell/read_pp_upf201.cpp
@@ -807,7 +807,7 @@ void Pseudopot_upf::read_pseudo_upf201_fullwfc(std::ifstream& ifs)
     std::string word;
     std::string name[50];
     std::string val[50];
-    int nparameter;
+    int nparameter = 0;
     this->aewfc.create(this->nbeta, this->mesh);
     this->pswfc.create(this->nbeta, this->mesh);
     ModuleBase::GlobalFunc::SCAN_BEGIN(ifs, "<PP_FULL_WFC");

diff --git a/source/source_cell/setup_nonlocal.cpp b/source/source_cell/setup_nonlocal.cpp
@@ -312,7 +312,7 @@ void InfoNonlocal::Read_NonLocal(const int& it,
         {
             if (ModuleBase::GlobalFunc::SCAN_BEGIN(ifs, "<PP_BETA>", false))
             {
-                int iproj;
+                int iproj = 0;
                 ModuleBase::GlobalFunc::READ_VALUE(ifs, iproj);
                 if (iproj != p1)
                 {

diff --git a/source/source_estate/cal_ux.cpp b/source/source_estate/cal_ux.cpp
@@ -93,7 +93,7 @@ void cal_ux(UnitCell& ucell) {
 
 bool judge_parallel(double a[3], ModuleBase::Vector3<double> b) {
     bool jp = false;
-    double cross;
+    double cross = 0.0;
     cross = pow((a[1] * b.z - a[2] * b.y), 2)
             + pow((a[2] * b.x - a[0] * b.z), 2)
             + pow((a[0] * b.y - a[1] * b.x), 2);

diff --git a/source/source_hamilt/module_vdw/vdwd2_parameters.cpp b/source/source_hamilt/module_vdw/vdwd2_parameters.cpp
@@ -50,7 +50,7 @@ void Vdwd2Parameters::C6_input(const std::string &file, const std::string &unit)
             ModuleBase::WARNING_QUIT("Vdwd2::C6_input",
                                      "Can not find the file " + ModuleBase::GlobalFunc::TO_STRING(file));
         std::string element;
-        double value;
+        double value = 0.0;
         while (ifs >> element >> value)
             C6_[element] = value;
         ifs.close();
@@ -77,7 +77,7 @@ void Vdwd2Parameters::R0_input(const std::string &file, const std::string &unit)
             ModuleBase::WARNING_QUIT("Vdwd2::R0_input",
                                      "Can not find the file " + ModuleBase::GlobalFunc::TO_STRING(file));
         std::string element;
-        double value;
+        double value = 0.0;
         while (ifs >> element >> value)
             R0_[element] = value;
         ifs.close();

diff --git a/source/source_hamilt/module_vdw/vdwd3.cpp b/source/source_hamilt/module_vdw/vdwd3.cpp
@@ -88,15 +88,15 @@ void Vdwd3::cal_energy()
     ModuleBase::timer::tick("Vdwd3", "cal_energy");
     init();
 
-    int ij;
+    int ij = 0;
     double c6 = 0.0, c8 = 0.0, r2 = 0.0, r6 = 0.0, r8 = 0.0, rr = 0.0, damp6 = 0.0, damp8 = 0.0;
     double e6 = 0.0, e8 = 0.0, eabc = 0.0;
     std::vector<double> cc6ab(ucell_.nat * ucell_.nat), cn(ucell_.nat);
     pbc_ncoord(cn);
     ModuleBase::Vector3<double> tau;
     if (para_.version() == "d3_0") // DFT-D3(zero-damping)
     {
-        double tmp;
+        double tmp = 0.0;
         for (int iat = 0; iat != ucell_.nat - 1; iat++) {
             for (int jat = iat + 1; jat != ucell_.nat; jat++)
             {
@@ -178,7 +178,7 @@ void Vdwd3::cal_energy()
     } // end d3_0
     else if (para_.version() == "d3_bj") // DFT-D3(BJ-damping)
     {
-        double r42;
+        double r42 = 0.0;
         for (int iat = 0; iat != ucell_.nat; iat++)
         {
             for (int jat = iat + 1; jat != ucell_.nat; jat++)
@@ -860,7 +860,7 @@ void Vdwd3::pbc_gdisp(std::vector<ModuleBase::Vector3<double>> &g, ModuleBase::m
     } // end d3_0
     else if (para_.version() == "d3_bj")
     {
-        double r4;
+        double r4 = 0.0;
         for (int iat = 0; iat != ucell_.nat; iat++)
         {
             get_dc6_dcnij(para_.mxc()[iz_[iat]], para_.mxc()[iz_[iat]], cn[iat], cn[iat],

diff --git a/source/source_hamilt/module_xc/xc_funct_corr_gga.cpp b/source/source_hamilt/module_xc/xc_funct_corr_gga.cpp
@@ -104,7 +104,7 @@ void XC_Functional::ggac(const double &rho,const double &grho, double &sc, doubl
     y = af * t * t;
     xy = (1.0 + y) / (1.0 + y + y * y);
 
-    double x;
+    double x = 0.0;
     x = 1.0 + y + y * y;
     qy = y * y * (2.0 + y) / (x * x);
     s1 = 1.0 + 2.0 * al / be * t * t * xy;

diff --git a/source/source_hamilt/module_xc/xc_funct_corr_lda.cpp b/source/source_hamilt/module_xc/xc_funct_corr_lda.cpp
@@ -138,7 +138,7 @@ void XC_Functional::vwn(const double &rs, double &ec, double &vc)
     fx = rs + b * rs12 + c;
     qx = atan(q / (2.0 * rs12 + b));
 
-    double x;
+    double x = 0.0;
     x = (rs12 - x0);
     ec = a * (log(rs / fx) + f1 * qx - f2 * (log((x * x) /
               fx) + f3 * qx));

diff --git a/source/source_hamilt/module_xc/xc_functional_gradcorr.cpp b/source/source_hamilt/module_xc/xc_functional_gradcorr.cpp
@@ -226,7 +226,7 @@ void XC_Functional::gradcorr(double &etxc, double &vtxc, ModuleBase::matrix &v,
 
 	if(nspin0==1)
 	{
-		double segno;
+		double segno = 0.0;
 #ifdef _OPENMP
 #pragma omp for
 #endif
@@ -249,7 +249,7 @@ void XC_Functional::gradcorr(double &etxc, double &vtxc, ModuleBase::matrix &v,
 #ifdef USE_LIBXC
 					if(func_type == 3 || func_type == 5) //the gradcorr part to stress of mGGA
 					{
-						double v3xc;
+						double v3xc = 0.0;
 						double atau = chr->kin_r[0][ir]/2.0;
 						XC_Functional_Libxc::tau_xc( func_id, arho, grho2a, atau, sxc, v1xc, v2xc, v3xc);
 					}

diff --git a/source/source_hamilt/module_xc/xc_functional_wrapper_gcxc.cpp b/source/source_hamilt/module_xc/xc_functional_wrapper_gcxc.cpp
@@ -128,7 +128,7 @@ void XC_Functional::gcx_spin(double rhoup, double rhodw, double grhoup2, double
     // parameter :
     double small = 1.e-10;
     double sxup, sxdw;
-    int iflag;
+    int iflag = 0;
 
     // exchange
     double rho = rhoup + rhodw;
@@ -247,7 +247,7 @@ void XC_Functional::gcc_spin(double rho, double &zeta, double grho, double &sc,
     double small = 1.0e-10;
 	double epsr = 1.0e-6;
 
-    double x;
+    double x = 0.0;
 
     sc = 0.00;
     v1cup = 0.00; v1cdw = 0.00;

diff --git a/source/source_hamilt/module_xc/xc_functional_wrapper_xc.cpp b/source/source_hamilt/module_xc/xc_functional_wrapper_xc.cpp
@@ -17,7 +17,7 @@ void XC_Functional::xc(const double &rho, double &exc, double &vxc)
 
 	double third = 1.0 / 3.0;
 	double pi34 = 0.6203504908994e0 ; // pi34=(3/4pi)^(1/3)
-	double rs;
+	double rs = 0.0;
     double e,v;
 
     exc = vxc = 0.00;

diff --git a/source/source_hsolver/diago_elpa_native.cpp b/source/source_hsolver/diago_elpa_native.cpp
@@ -77,7 +77,7 @@ void DiagoElpaNative<T>::diag_pool(hamilt::MatrixBlock<T>& h_mat,
     }
 
     // elpa_init(20210430);
-    int success;
+    int success = 0;
     elpa_t handle = elpa_allocate(&success);
 #ifdef _OPENMP
     int num_threads = omp_get_max_threads();

diff --git a/source/source_hsolver/hsolver_pw.cpp b/source/source_hsolver/hsolver_pw.cpp
@@ -544,8 +544,8 @@ void HSolverPW<T, Device>::build_k_neighbors() {
     // Store k-points and corresponding indices
     struct KPoint {
         ModuleBase::Vector3<double> kvec;
-        int index;
-        double norm;
+        int index = 0;
+        double norm = 0.0;
 
         KPoint(const ModuleBase::Vector3<double>& v, int i) :
             kvec(v), index(i), norm(v.norm()) {}

diff --git a/source/source_hsolver/module_genelpa/elpa_new.cpp b/source/source_hsolver/module_genelpa/elpa_new.cpp
@@ -57,7 +57,7 @@ ELPA_Solver::ELPA_Solver(const bool isReal,
     else
         kernel_id = read_complex_kernel();
     // cout<<"kernel id is inited as "<<kernel_id<<"\n";
-    int error;
+    int error = 0;
 
     static int total_handle = 0;
 
@@ -139,7 +139,7 @@ ELPA_Solver::ELPA_Solver(const bool isReal,
 
     int error;
     static std::map<int, elpa_t> NEW_ELPA_HANDLE_POOL;
-    static int total_handle;
+    static int total_handle = 0;
 
 #ifdef _OPENMP
     int num_threads = omp_get_max_threads();
@@ -270,7 +270,7 @@ int ELPA_Solver::read_cpuflag()
 
 int ELPA_Solver::read_real_kernel()
 {
-    int kernel_id;
+    int kernel_id = 0;
 
     if (const char* env = getenv("ELPA_DEFAULT_real_kernel"))
     {
@@ -454,7 +454,7 @@ int ELPA_Solver::read_complex_kernel()
 int ELPA_Solver::allocate_work()
 {
     unsigned long nloc = static_cast<unsigned long>(narows) * nacols; // local size
-    unsigned long maxloc; // maximum local size
+    unsigned long maxloc = 0; // maximum local size
     MPI_Allreduce(&nloc, &maxloc, 1, MPI_UNSIGNED_LONG, MPI_MAX, comm);
     maxloc = nloc;
 
@@ -467,7 +467,7 @@ int ELPA_Solver::allocate_work()
 
 void ELPA_Solver::timer(int myid, const char function[], const char step[], double& t0)
 {
-    double t1;
+    double t1 = 0.0;
     if (t0 < 0) // t0 < 0 means this is the init call before the function
     {
         t0 = MPI_Wtime();

diff --git a/source/source_hsolver/module_genelpa/elpa_new_complex.cpp b/source/source_hsolver/module_genelpa/elpa_new_complex.cpp
@@ -19,9 +19,9 @@ extern std::map<int, elpa_t> NEW_ELPA_HANDLE_POOL;
 
 int ELPA_Solver::eigenvector(std::complex<double>* A, double* EigenValue, std::complex<double>* EigenVector)
 {
-    int info;
-    int allinfo;
-    double t;
+    int info = 0;
+    int allinfo = 0;
+    double t = 0.0;
 
     if((loglevel>0 && myid==0) || loglevel>1)
     {
@@ -42,7 +42,7 @@ int ELPA_Solver::generalized_eigenvector(std::complex<double>* A, std::complex<d
                                          double* EigenValue, std::complex<double>* EigenVector)
 {
     int info, allinfo;
-    double t;
+    double t = 0.0;
 
     if((loglevel>0 && myid==0) || loglevel>1)
     {
@@ -164,7 +164,7 @@ int ELPA_Solver::decomposeRightMatrix(std::complex<double>* B, double* EigenValu
 {
     int info=0;
     int allinfo=0;
-    double t;
+    double t = 0.0;
 
     // first try cholesky decomposing
     if(nFull<CHOLESKY_CRITICAL_SIZE) // use pdpotrf for small matrix
@@ -316,7 +316,7 @@ int ELPA_Solver::decomposeRightMatrix(std::complex<double>* B, double* EigenValu
 
 int ELPA_Solver::composeEigenVector(int DecomposedState, std::complex<double>* B, std::complex<double>* EigenVector)
 {
-    double t;
+    double t = 0.0;
     if(DecomposedState==1 || DecomposedState==2)
     {
         // transform the eigenvectors to original general equation, let U^-1*q, and put to q