diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h b/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h index 49d1f964a1..8a9ce32cd8 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h @@ -89,7 +89,7 @@ class HamiltLCAO : public Hamilt // special case for NSPIN=2 , data of HR should be separated into two parts // save them in this->hRS2; std::vector hRS2; - int refresh_times = 0; + int refresh_times = 1; // sk and hk will be refactored to HamiltLCAO later //std::vector sk;