fix bug in updateHk

Author: mohanchen

source/module_esolver/lcao_after_scf.cpp

@@ -221,7 +221,6 @@ void ESolver_KS_LCAO<TK, TR>::after_scf(UnitCell& ucell, const int istep, const
                                            PARAM.globalv.nlocal,
                                            this->pelec->ekb,
                                            this->pelec->klist->kvec_d,
-                                           this->pelec->klist->isk,
                                            ucell,
                                            orb_,
                                            this->gd,

source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.cpp

@@ -21,7 +21,6 @@ void LCAO_Deepks_Interface<TK, TR>::out_deepks_labels(const double& etot,
                                                       const int& nlocal,
                                                       const ModuleBase::matrix& ekb,
                                                       const std::vector<ModuleBase::Vector3<double>>& kvec_d,
-                                                      const std::vector<int>& isk, // mohan add 2025-04-01
                                                       const UnitCell& ucell,
                                                       const LCAO_Orbitals& orb,
                                                       const Grid_Driver& GridD,
@@ -339,7 +338,7 @@ void LCAO_Deepks_Interface<TK, TR>::out_deepks_labels(const double& etot,
             {
                 h_tot[ik].create(nlocal, nlocal);
 
-                p_ham->updateHk(ik, isk[ik]);
+                p_ham->updateHk(ik);
 
                 const TK* hk_ptr = p_ham->getHk();
 

source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.h

@@ -37,7 +37,6 @@ class LCAO_Deepks_Interface
                            const int& nlocal,
                            const ModuleBase::matrix& ekb,
                            const std::vector<ModuleBase::Vector3<double>>& kvec_d,
-                           const std::vector<int>& isk, // mohan add 2025-04-01
                            const UnitCell& ucell,
                            const LCAO_Orbitals& orb,
                            const Grid_Driver& GridD,