fix bug

haozhihan · haozhihan · commit 6c7105e7694b · 2024-12-05T11:42:15.000+08:00
diff --git a/source/module_esolver/esolver_ks_lcaopw.cpp b/source/module_esolver/esolver_ks_lcaopw.cpp
@@ -147,7 +147,7 @@ namespace ModuleESolver
         }
 
         hsolver::HSolverLIP<T> hsolver_lip_obj(this->pw_wfc);
-        hsolver_lip_obj.solve(this->p_hamilt, this->kspw_psi[0], this->pelec, psig.lock().get()[0], skip_charge,ucell.tpiba,ucell.nat);
+        hsolver_lip_obj.solve(this->p_hamilt, this->kspw_psi[0], this->pelec, psig[0], skip_charge, ucell.tpiba, ucell.nat);
 
         // add exx
 #ifdef __EXX

Original file line number	Diff line number	Diff line change
`@@ -147,7 +147,7 @@ namespace ModuleESolver`
`147`	`147`	`}`
`148`	`148`
`149`	`149`	`hsolver::HSolverLIP<T> hsolver_lip_obj(this->pw_wfc);`
`150`		`- hsolver_lip_obj.solve(this->p_hamilt, this->kspw_psi[0], this->pelec, psig.lock().get()[0], skip_charge,ucell.tpiba,ucell.nat);`
	`150`	`+ hsolver_lip_obj.solve(this->p_hamilt, this->kspw_psi[0], this->pelec, psig[0], skip_charge, ucell.tpiba, ucell.nat);`
`151`	`151`
`152`	`152`	`// add exx`
`153`	`153`	`#ifdef __EXX`