update Constructor 8-1

Author: haozhihan

source/module_hamilt_general/operator.cpp

@@ -79,8 +79,8 @@ typename Operator<T, Device>::hpsi_info Operator<T, Device>::hPsi(hpsi_info& inp
                     psi_input->npol,
                     tmpsi_in,
                     this->hpsi->get_pointer(),
-                    psi_input->get_ngk(op->ik),
-                    // psi_input->get_current_nbas(),
+                    // psi_input->get_ngk(op->ik),
+                    psi_input->get_current_nbas(),
                     is_first_node);
             break;
         }

source/module_hamilt_pw/hamilt_pwdft/operator_pw/velocity_pw.cpp

@@ -49,6 +49,7 @@ void Velocity::act
 {
     ModuleBase::timer::tick("Operator", "Velocity");
     const int npw = psi_in->get_ngk(this->ik);
+    // const int npw = psi_in->get_current_nbas();
     const int max_npw = psi_in->get_nbasis() / psi_in->npol;
     const int npol = psi_in->npol;
     const std::complex<double>* tmpsi_in = psi0;

source/module_psi/psi.cpp

@@ -73,16 +73,23 @@ Psi<T, Device>::Psi(T* psi_pointer,
                     const bool k_first_in)
 {
     this->k_first = k_first_in;
-    this->ngk = ngk_vector_in.data();
-    this->current_b = 0;
-    this->current_k = 0;
     this->npol = PARAM.globalv.npol;
+    this->allocate_inside = false;
+
+    this->ngk = ngk_vector_in.data();
+
+    this->psi = psi_pointer;
+
     this->nk = nk_in;
     this->nbands = nbd_in;
     this->nbasis = nbs_in;
+
+    this->current_k = 0;
+    this->current_b = 0;
     this->current_nbasis = current_nbasis_in;
-    this->psi_current = this->psi = psi_pointer;
-    this->allocate_inside = false;
+    this->psi_current = psi_pointer;
+    this->psi_bias = 0;
+
     // Currently only GPU's implementation is supported for device recording!
     base_device::information::print_device_info<Device>(this->ctx, GlobalV::ofs_device);
 }