fix bug

haozhihan · haozhihan · commit 35d26d65720b · 2024-12-26T15:55:12.000+08:00
diff --git a/source/module_hamilt_general/operator.cpp b/source/module_hamilt_general/operator.cpp
@@ -89,9 +89,9 @@ 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_ngk(op->ik),
                     // 0,
-                    // psi_input->get_current_nbas(),
+                    psi_input->get_current_nbas(),
                     // psi_input->get_current_nbas() / psi_input->npol,
                     is_first_node);
             break;
diff --git a/source/module_hsolver/hsolver_pw.cpp b/source/module_hsolver/hsolver_pw.cpp
@@ -378,7 +378,7 @@ void HSolverPW<T, Device>::hamiltSolvePsiK(hamilt::Hamilt<T, Device>* hm,
         ngk_vector[i] = ngk_pointer[i];
     }
 
-    const int cur_nbasis = psi.get_current_nbas();
+    const int cur_nbasis = psi.get_ngk(psi.get_current_k());
 
     if (this->method == "cg")
     {

Original file line number	Diff line number	Diff line change
`@@ -378,7 +378,7 @@ void HSolverPW<T, Device>::hamiltSolvePsiK(hamilt::Hamilt<T, Device>* hm,`
`378`	`378`	`ngk_vector[i] = ngk_pointer[i];`
`379`	`379`	`}`
`380`	`380`
`381`		`- const int cur_nbasis = psi.get_current_nbas();`
	`381`	`+ const int cur_nbasis = psi.get_ngk(psi.get_current_k());`
`382`	`382`
`383`	`383`	`if (this->method == "cg")`
`384`	`384`	`{`