diff --git a/source/module_hamilt_general/operator.cpp b/source/module_hamilt_general/operator.cpp
index 50f186fef8..37b8694a56 100644
--- a/source/module_hamilt_general/operator.cpp
+++ b/source/module_hamilt_general/operator.cpp
@@ -118,6 +118,16 @@ FPTYPE* Operator<FPTYPE, Device>::get_hpsi(const hpsi_info& info) const
     return hpsi_pointer;
 }
 
+template<typename FPTYPE, typename Device>
+void Operator<FPTYPE, Device>::act(
+    const int nbands,
+    const int nbasis,
+    const int npol,
+    const FPTYPE* tmpsi_in,
+    FPTYPE* tmhpsi,
+    const int ngk_ik)const
+{
+}
 
 namespace hamilt {
 template class Operator<float, psi::DEVICE_CPU>;
diff --git a/source/module_hamilt_general/operator.h b/source/module_hamilt_general/operator.h
index 6c0121d1c2..4f8c10a57d 100644
--- a/source/module_hamilt_general/operator.h
+++ b/source/module_hamilt_general/operator.h
@@ -46,7 +46,16 @@ class Operator
 
     virtual void add(Operator* next);
 
-    virtual int get_ik() const {return this->ik;}
+    virtual int get_ik() const { return this->ik; }
+
+    //do operation : |hpsi_choosed> = V|psi_choosed>
+    //V is the target operator act on choosed psi, the consequence should be added to choosed hpsi
+    virtual void act(const int nbands,
+        const int nbasis,
+        const int npol,
+        const FPTYPE* tmpsi_in,
+        FPTYPE* tmhpsi,
+        const int ngk_ik = 0)const;
 
     Operator* next_op = nullptr;
 
diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp
index d6f387aad8..c4e69cf909 100644
--- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp
+++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp
@@ -31,26 +31,27 @@ Ekinetic<OperatorPW<FPTYPE, Device>>::~Ekinetic() {}
 
 template<typename FPTYPE, typename Device>
 void Ekinetic<OperatorPW<FPTYPE, Device>>::act(
-    const psi::Psi<std::complex<FPTYPE>, Device> *psi_in, 
-    const int n_npwx, 
-    const std::complex<FPTYPE>* tmpsi_in, 
-    std::complex<FPTYPE>* tmhpsi)const
+    const int nbands,
+    const int nbasis,
+    const int npol,
+    const std::complex<FPTYPE>* tmpsi_in,
+    std::complex<FPTYPE>* tmhpsi,
+    const int ngk_ik)const
 {
-  ModuleBase::timer::tick("Operator", "EkineticPW");
-  const int npw = psi_in->get_ngk(this->ik);
-  this->max_npw = psi_in->get_nbasis() / psi_in->npol;
+    ModuleBase::timer::tick("Operator", "EkineticPW");
+    int max_npw = nbasis / npol;
 
   const FPTYPE *gk2_ik = &(this->gk2[this->ik * this->gk2_col]);
   // denghui added 20221019
-  ekinetic_op()(this->ctx, n_npwx, npw, this->max_npw, tpiba2, gk2_ik, tmhpsi, tmpsi_in);
-  // for (int ib = 0; ib < n_npwx; ++ib)
+  ekinetic_op()(this->ctx, nbands, ngk_ik, max_npw, tpiba2, gk2_ik, tmhpsi, tmpsi_in);
+  // for (int ib = 0; ib < nbands; ++ib)
   // {
-  //     for (int ig = 0; ig < npw; ++ig)
+  //     for (int ig = 0; ig < ngk_ik; ++ig)
   //     {
   //         tmhpsi[ig] += gk2_ik[ig] * tpiba2 * tmpsi_in[ig];
   //     }
-  //     tmhpsi += this->max_npw;
-  //     tmpsi_in += this->max_npw;
+  //     tmhpsi += max_npw;
+  //     tmpsi_in += max_npw;
   // }
   ModuleBase::timer::tick("Operator", "EkineticPW");
 }
diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h
index 505afa1666..32d6e55aeb 100644
--- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h
+++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h
@@ -34,11 +34,12 @@ class Ekinetic<OperatorPW<FPTYPE, Device>> : public OperatorPW<FPTYPE, Device>
 
     virtual ~Ekinetic();
 
-    virtual void act(
-        const psi::Psi<std::complex<FPTYPE>, Device> *psi_in, 
-        const int n_npwx, 
-        const std::complex<FPTYPE>* tmpsi_in, 
-        std::complex<FPTYPE>* tmhpsi)const override;
+    virtual void act(const int nbands,
+        const int nbasis,
+        const int npol,
+        const std::complex<FPTYPE>* tmpsi_in,
+        std::complex<FPTYPE>* tmhpsi,
+        const int ngk_ik = 0)const override;
 
     // denghuilu added for copy construct at 20221105
     int get_gk2_row() const {return this->gk2_row;}
@@ -49,10 +50,6 @@ class Ekinetic<OperatorPW<FPTYPE, Device>> : public OperatorPW<FPTYPE, Device>
 
   private:
 
-    mutable int max_npw = 0;
-
-    mutable int npol = 0;
-
     FPTYPE tpiba2 = 0.0;
     const FPTYPE* gk2 = nullptr;
     int gk2_row = 0;
diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp
index f3ae9ec76f..a9d7047048 100644
--- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp
+++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp
@@ -39,11 +39,12 @@ Meta<OperatorPW<FPTYPE, Device>>::~Meta()
 
 template<typename FPTYPE, typename Device>
 void Meta<OperatorPW<FPTYPE, Device>>::act(
-    const psi::Psi<std::complex<FPTYPE>, Device> *psi_in, 
-    const int n_npwx, 
-    const std::complex<FPTYPE>* tmpsi_in, 
-    std::complex<FPTYPE>* tmhpsi
-)const
+    const int nbands,
+    const int nbasis,
+    const int npol,
+    const std::complex<FPTYPE>* tmpsi_in,
+    std::complex<FPTYPE>* tmhpsi,
+    const int ngk_ik)const
 {
     if (XC_Functional::get_func_type() != 3)
     {
@@ -52,17 +53,15 @@ void Meta<OperatorPW<FPTYPE, Device>>::act(
 
     ModuleBase::timer::tick("Operator", "MetaPW");
 
-    const int npw = psi_in->get_ngk(this->ik);
     const int current_spin = this->isk[this->ik];
-    this->max_npw = psi_in->get_nbasis() / psi_in->npol;
+    int max_npw = nbasis / npol;
     //npol == 2 case has not been considered
-    this->npol = psi_in->npol;
 
-    for (int ib = 0; ib < n_npwx; ++ib)
+    for (int ib = 0; ib < nbands; ++ib)
     {
         for (int j = 0; j < 3; j++)
         {
-            meta_op()(this->ctx, this->ik, j, npw, this->wfcpw->npwk_max, this->tpiba, wfcpw->get_gcar_data<FPTYPE>(), wfcpw->get_kvec_c_data<FPTYPE>(), tmpsi_in, this->porter);
+            meta_op()(this->ctx, this->ik, j, ngk_ik, this->wfcpw->npwk_max, this->tpiba, wfcpw->get_gcar_data<FPTYPE>(), wfcpw->get_kvec_c_data<FPTYPE>(), tmpsi_in, this->porter);
             wfcpw->recip_to_real(this->ctx, this->porter, this->porter, this->ik);
 
             if(this->vk_col != 0) {
@@ -70,11 +69,11 @@ void Meta<OperatorPW<FPTYPE, Device>>::act(
             }
 
             wfcpw->real_to_recip(this->ctx, this->porter, this->porter, this->ik);
-            meta_op()(this->ctx, this->ik, j, npw, this->wfcpw->npwk_max, this->tpiba, wfcpw->get_gcar_data<FPTYPE>(), wfcpw->get_kvec_c_data<FPTYPE>(), this->porter, tmhpsi, true);
+            meta_op()(this->ctx, this->ik, j, ngk_ik, this->wfcpw->npwk_max, this->tpiba, wfcpw->get_gcar_data<FPTYPE>(), wfcpw->get_kvec_c_data<FPTYPE>(), this->porter, tmhpsi, true);
 
         } // x,y,z directions
-        tmhpsi += this->max_npw;
-        tmpsi_in += this->max_npw;
+        tmhpsi += max_npw;
+        tmpsi_in += max_npw;
     }
     ModuleBase::timer::tick("Operator", "MetaPW");
 }
diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h
index 5df7b95e84..17d1d12b3a 100644
--- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h
+++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h
@@ -35,10 +35,12 @@ class Meta<OperatorPW<FPTYPE, Device>> : public OperatorPW<FPTYPE, Device>
 
       virtual ~Meta();
 
-      virtual void act(const psi::Psi<std::complex<FPTYPE>, Device>* psi_in,
-                       const int n_npwx,
-                       const std::complex<FPTYPE>* tmpsi_in,
-                       std::complex<FPTYPE>* tmhpsi) const override;
+      virtual void act(const int nbands,
+          const int nbasis,
+          const int npol,
+          const std::complex<FPTYPE>* tmpsi_in,
+          std::complex<FPTYPE>* tmhpsi,
+          const int ngk = 0)const override;
 
       // denghui added for copy constructor at 20221105
       FPTYPE get_tpiba() const
diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp
index b773855e89..76aa9c5e43 100644
--- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp
+++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp
@@ -206,30 +206,31 @@ void Nonlocal<OperatorPW<FPTYPE, Device>>::add_nonlocal_pp(std::complex<FPTYPE>
 }
 
 template<typename FPTYPE, typename Device>
-void Nonlocal<OperatorPW<FPTYPE, Device>>::act
-(
-    const psi::Psi<std::complex<FPTYPE>, Device>* psi_in, 
-    const int n_npwx, 
-    const std::complex<FPTYPE>* tmpsi_in, 
-    std::complex<FPTYPE>* tmhpsi)const
+void Nonlocal<OperatorPW<FPTYPE, Device>>::act(
+    const int nbands,
+    const int nbasis,
+    const int npol,
+    const std::complex<FPTYPE>* tmpsi_in,
+    std::complex<FPTYPE>* tmhpsi,
+    const int ngk_ik)const
 {
     ModuleBase::timer::tick("Operator", "NonlocalPW");
-    this->npw = psi_in->get_ngk(this->ik);
-    this->max_npw = psi_in->get_nbasis() / psi_in->npol;
-    this->npol = psi_in->npol;
+    this->npw = ngk_ik;
+    this->max_npw = nbasis / npol;
+    this->npol = npol;
 
     if (this->ppcell->nkb > 0)
     {
         //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
         // qianrui optimize 2021-3-31
         int nkb = this->ppcell->nkb;
-        if (this->nkb_m < n_npwx * nkb) {
-            resmem_complex_op()(this->ctx, this->becp, n_npwx * nkb, "Nonlocal<PW>::becp");
+        if (this->nkb_m < nbands * nkb) {
+            resmem_complex_op()(this->ctx, this->becp, nbands * nkb, "Nonlocal<PW>::becp");
         }
-        // ModuleBase::ComplexMatrix becp(n_npwx, nkb, false);
+        // ModuleBase::ComplexMatrix becp(nbands, nkb, false);
         char transa = 'C';
         char transb = 'N';
-        if (n_npwx == 1)
+        if (nbands == 1)
         {
             int inc = 1;
             // denghui replace 2022-10-20
@@ -250,7 +251,7 @@ void Nonlocal<OperatorPW<FPTYPE, Device>>::act
         }
         else
         {
-            int npm = n_npwx;
+            int npm = nbands;
             //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
             // denghui replace 2022-10-20
             gemm_op()(
@@ -264,16 +265,16 @@ void Nonlocal<OperatorPW<FPTYPE, Device>>::act
                 this->vkb,
                 this->ppcell->vkb.nc,
                 tmpsi_in,
-                this->max_npw,
+                max_npw,
                 &this->zero,
                 this->becp,
                 nkb
             );
         }
 
-        Parallel_Reduce::reduce_complex_double_pool(becp, nkb * n_npwx);
+        Parallel_Reduce::reduce_complex_double_pool(becp, nkb * nbands);
 
-        this->add_nonlocal_pp(tmhpsi, becp, n_npwx);
+        this->add_nonlocal_pp(tmhpsi, becp, nbands);
     }
     ModuleBase::timer::tick("Operator", "NonlocalPW");
 }
diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h
index 21bcf96a55..914a7b8cb7 100644
--- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h
+++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h
@@ -37,12 +37,12 @@ class Nonlocal<OperatorPW<FPTYPE, Device>> : public OperatorPW<FPTYPE, Device>
 
     virtual void init(const int ik_in)override;
 
-    virtual void act(
-        const psi::Psi<std::complex<FPTYPE>, Device> *psi_in, 
-        const int n_npwx, 
-        const std::complex<FPTYPE>* tmpsi_in, 
-        std::complex<FPTYPE>* tmhpsi
-    )const override;
+    virtual void act(const int nbands,
+        const int nbasis,
+        const int npol,
+        const std::complex<FPTYPE>* tmpsi_in,
+        std::complex<FPTYPE>* tmhpsi,
+        const int ngk = 0)const override;
 
     const int *get_isk() const {return this->isk;}
     const pseudopot_cell_vnl *get_ppcell() const {return this->ppcell;}
diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp
index 8096648ee2..105dc5f92a 100644
--- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp
+++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp
@@ -14,7 +14,7 @@ typename OperatorPW<FPTYPE, Device>::hpsi_info OperatorPW<FPTYPE, Device>::hPsi(
   ModuleBase::timer::tick("OperatorPW", "hPsi");
   auto psi_input = std::get<0>(input);
   std::tuple<const std::complex<FPTYPE>*, int> psi_info = psi_input->to_range(std::get<1>(input));
-  int n_npwx = std::get<1>(psi_info); 
+  int nbands = std::get<1>(psi_info);
 
   std::complex<FPTYPE> *tmhpsi = this->get_hpsi(input);
   const std::complex<FPTYPE> *tmpsi_in = std::get<0>(psi_info);
@@ -24,11 +24,11 @@ typename OperatorPW<FPTYPE, Device>::hpsi_info OperatorPW<FPTYPE, Device>::hPsi(
       ModuleBase::WARNING_QUIT("OperatorPW", "please choose correct range of psi for hPsi()!");
   }
 
-  this->act(psi_input, n_npwx, tmpsi_in, tmhpsi);
+  this->act(nbands, psi_input->get_nbasis(), psi_input->npol, tmpsi_in, tmhpsi, psi_input->get_ngk(this->ik));
   OperatorPW* node((OperatorPW*)this->next_op);
   while(node != nullptr)
   {
-      node->act(psi_input, n_npwx, tmpsi_in, tmhpsi);
+      node->act(nbands, psi_input->get_nbasis(), psi_input->npol, tmpsi_in, tmhpsi, psi_input->get_ngk(this->ik));
       node = (OperatorPW*)(node->next_op);
   }
 
@@ -41,18 +41,9 @@ typename OperatorPW<FPTYPE, Device>::hpsi_info OperatorPW<FPTYPE, Device>::hPsi(
       // ModuleBase::GlobalFunc::COPYARRAY(this->hpsi->get_pointer(), hpsi_pointer, this->hpsi->size());
       syncmem_complex_op()(this->ctx, this->ctx, hpsi_pointer, this->hpsi->get_pointer(), this->hpsi->size());
       delete this->hpsi;
-      this->hpsi = new psi::Psi<std::complex<FPTYPE>, Device>(hpsi_pointer, *psi_input, 1, n_npwx/psi_input->npol);
+      this->hpsi = new psi::Psi<std::complex<FPTYPE>, Device>(hpsi_pointer, *psi_input, 1, nbands / psi_input->npol);
   }      
-  return hpsi_info(this->hpsi, psi::Range(1, 0, 0, n_npwx/psi_input->npol), hpsi_pointer);
-}  
-
-template<typename FPTYPE, typename Device>
-void OperatorPW<FPTYPE, Device>::act(
-    const psi::Psi<std::complex<FPTYPE>, Device> *psi_in, 
-    const int n_npwx, 
-    const std::complex<FPTYPE>* tmpsi_in, 
-    std::complex<FPTYPE>* tmhpsi) const
-{
+  return hpsi_info(this->hpsi, psi::Range(1, 0, 0, nbands / psi_input->npol), hpsi_pointer);
 }
 
 namespace hamilt {
diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.h
index 0c7759eb75..d7e5069eaa 100644
--- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.h
+++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.h
@@ -14,13 +14,6 @@ class OperatorPW : public Operator<std::complex<FPTYPE>, Device>
     using hpsi_info = typename hamilt::Operator<std::complex<FPTYPE>, Device>::hpsi_info;
     virtual hpsi_info hPsi(hpsi_info& input)const;
     //main function which should be modified in Operator for PW base
-    //do operation : |hpsi_choosed> = V|psi_choosed>
-    //V is the target operator act on choosed psi, the consequence should be added to choosed hpsi
-    virtual void act(
-        const psi::Psi<std::complex<FPTYPE>, Device> *psi_in, 
-        const int n_npwx, 
-        const std::complex<FPTYPE>* tmpsi_in, 
-        std::complex<FPTYPE>* tmhpsi)const;
 
     std::string classname = "";
     using syncmem_complex_op = psi::memory::synchronize_memory_op<std::complex<FPTYPE>, Device, Device>;
diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp
index 9a56cc1ff1..e2d2ae79e5 100644
--- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp
+++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp
@@ -38,22 +38,22 @@ Veff<OperatorPW<FPTYPE, Device>>::~Veff()
 
 template<typename FPTYPE, typename Device>
 void Veff<OperatorPW<FPTYPE, Device>>::act(
-    const psi::Psi<std::complex<FPTYPE>, Device> *psi_in, 
-    const int n_npwx, 
-    const std::complex<FPTYPE>* tmpsi_in, 
-    std::complex<FPTYPE>* tmhpsi
-)const
+    const int nbands,
+    const int nbasis,
+    const int npol,
+    const std::complex<FPTYPE>* tmpsi_in,
+    std::complex<FPTYPE>* tmhpsi,
+    const int ngk_ik)const
 {
     ModuleBase::timer::tick("Operator", "VeffPW");
 
-    this->max_npw = psi_in->get_nbasis() / psi_in->npol;
+    int max_npw = nbasis / npol;
     const int current_spin = this->isk[this->ik];
-    this->npol = psi_in->npol;
     
     // std::complex<FPTYPE> *porter = new std::complex<FPTYPE>[wfcpw->nmaxgr];
-    for (int ib = 0; ib < n_npwx; ib += this->npol)
+    for (int ib = 0; ib < nbands; ib += npol)
     {
-        if (this->npol == 1)
+        if (npol == 1)
         {
             // wfcpw->recip2real(tmpsi_in, porter, this->ik);
             wfcpw->recip_to_real(this->ctx, tmpsi_in, this->porter, this->ik);
@@ -77,7 +77,7 @@ void Veff<OperatorPW<FPTYPE, Device>>::act(
             // std::complex<FPTYPE> *porter1 = new std::complex<FPTYPE>[wfcpw->nmaxgr];
             // fft to real space and doing things.
             wfcpw->recip_to_real(this->ctx, tmpsi_in, this->porter, this->ik);
-            wfcpw->recip_to_real(this->ctx, tmpsi_in + this->max_npw, this->porter1, this->ik);
+            wfcpw->recip_to_real(this->ctx, tmpsi_in + max_npw, this->porter1, this->ik);
             if(this->veff_col != 0)
             {
                 /// denghui added at 20221109
@@ -102,10 +102,10 @@ void Veff<OperatorPW<FPTYPE, Device>>::act(
             }
             // (3) fft back to G space.
             wfcpw->real_to_recip(this->ctx, this->porter, tmhpsi, this->ik, true);
-            wfcpw->real_to_recip(this->ctx, this->porter1, tmhpsi + this->max_npw, this->ik, true);
+            wfcpw->real_to_recip(this->ctx, this->porter1, tmhpsi + max_npw, this->ik, true);
         }
-        tmhpsi += this->max_npw * this->npol;
-        tmpsi_in += this->max_npw * this->npol;
+        tmhpsi += max_npw * npol;
+        tmpsi_in += max_npw * npol;
     }
     ModuleBase::timer::tick("Operator", "VeffPW");
 }
@@ -120,7 +120,6 @@ hamilt::Veff<OperatorPW<FPTYPE, Device>>::Veff(const Veff<OperatorPW<T_in, Devic
     this->veff_col = veff->get_veff_col();
     this->veff_row = veff->get_veff_row();
     this->wfcpw = veff->get_wfcpw();
-    this->npol = veff->get_npol();
     resmem_complex_op()(this->ctx, this->porter, this->wfcpw->nmaxgr);
     resmem_complex_op()(this->ctx, this->porter1, this->wfcpw->nmaxgr);
     this->veff = veff->get_veff();
diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h
index 638f4c5786..1cbf9c7201 100644
--- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h
+++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h
@@ -33,18 +33,17 @@ class Veff<OperatorPW<FPTYPE, Device>> : public OperatorPW<FPTYPE, Device>
 
     virtual ~Veff();
 
-    virtual void act (
-        const psi::Psi<std::complex<FPTYPE>, Device> *psi_in, 
-        const int n_npwx, 
-        const std::complex<FPTYPE>* tmpsi_in, 
-        std::complex<FPTYPE>* tmhpsi
-    )const override;
+    virtual void act(const int nbands,
+        const int nbasis,
+        const int npol,
+        const std::complex<FPTYPE>* tmpsi_in,
+        std::complex<FPTYPE>* tmhpsi,
+        const int ngk_ik = 0)const override;
 
     // denghui added for copy constructor at 20221105
     const FPTYPE *get_veff() const {return this->veff;}
     int get_veff_col() const {return this->veff_col;}
-    int get_veff_row() const {return this->veff_row;}
-    int get_npol() const {return this->npol;}
+    int get_veff_row() const { return this->veff_row; }
     const int *get_isk() const {return isk;}
     const ModulePW::PW_Basis_K* get_wfcpw() const
     {
@@ -53,10 +52,6 @@ class Veff<OperatorPW<FPTYPE, Device>> : public OperatorPW<FPTYPE, Device>
 
   private:
 
-    mutable int max_npw = 0;
-
-    mutable int npol = 0;
-
     const int* isk = nullptr;
 
     const ModulePW::PW_Basis_K* wfcpw = nullptr;
diff --git a/source/module_hsolver/test/diago_mock.h b/source/module_hsolver/test/diago_mock.h
index d597d3aded..83f41a14c4 100644
--- a/source/module_hsolver/test/diago_mock.h
+++ b/source/module_hsolver/test/diago_mock.h
@@ -491,11 +491,12 @@ class OperatorMock_d : public hamilt::OperatorPW<double>
     }
     virtual void act
     (
-        const psi::Psi<std::complex<double>> *psi_in, 
-        const int n_npwx, 
-        const std::complex<double>* tmpsi_in, 
-        std::complex<double>* tmhpsi
-    )const 
+        const int nbands,
+        const int nbasis,
+        const int npol,
+        const std::complex<double>* tmpsi_in,
+        std::complex<double>* tmhpsi,
+        const int ngk_ik = 0)const
     {
         int nprocs=1, mypnum=0;
     #ifdef __MPI    
@@ -504,7 +505,7 @@ class OperatorMock_d : public hamilt::OperatorPW<double>
     #endif        
 
         std::complex<double> *hpsi0 = new std::complex<double>[DIAGOTEST::npw];
-        for(int m = 0; m< n_npwx; m++)
+        for (int m = 0; m < nbands; m++)
         {
             for(int i=0;i<DIAGOTEST::npw;i++)
             {
@@ -516,8 +517,8 @@ class OperatorMock_d : public hamilt::OperatorPW<double>
             }
             Parallel_Reduce::reduce_complex_double_pool(hpsi0, DIAGOTEST::npw);
             DIAGOTEST::divide_psi<std::complex<double>>(hpsi0, tmhpsi);
-            tmhpsi += psi_in->get_nbasis();
-            tmpsi_in += psi_in->get_nbasis();
+            tmhpsi += nbasis;
+            tmpsi_in += nbasis;
         }
         delete [] hpsi0;
     }
@@ -535,11 +536,12 @@ class OperatorMock_f : public hamilt::OperatorPW<float>
     }
     virtual void act
     (
-        const psi::Psi<std::complex<float>> *psi_in, 
-        const int n_npwx, 
-        const std::complex<float>* tmpsi_in, 
-        std::complex<float>* tmhpsi
-    )const 
+        const int nbands,
+        const int nbasis,
+        const int npol,
+        const std::complex<float>* tmpsi_in,
+        std::complex<float>* tmhpsi,
+        const int ngk_ik = 0)const
     {
         int nprocs=1, mypnum=0;
     #ifdef __MPI    
@@ -548,7 +550,7 @@ class OperatorMock_f : public hamilt::OperatorPW<float>
     #endif        
 
         std::complex<float> *hpsi0 = new std::complex<float>[DIAGOTEST::npw];
-        for(int m = 0; m< n_npwx; m++)
+        for (int m = 0; m < nbands; m++)
         {
             for(int i=0;i<DIAGOTEST::npw;i++)
             {
@@ -562,8 +564,8 @@ class OperatorMock_f : public hamilt::OperatorPW<float>
 	        MPI_Allreduce(MPI_IN_PLACE, hpsi0, DIAGOTEST::npw, MPI_C_FLOAT_COMPLEX, MPI_SUM, MPI_COMM_WORLD);
 #endif
             DIAGOTEST::divide_psi_f<std::complex<float>>(hpsi0, tmhpsi);	
-            tmhpsi += psi_in->get_nbasis();
-            tmpsi_in += psi_in->get_nbasis();
+            tmhpsi += nbasis;
+            tmpsi_in += nbasis;
         }
         delete [] hpsi0;
     }