diff --git a/source/src_lcao/dftu_relax.cpp b/source/src_lcao/dftu_relax.cpp index afe110b77d..0c6178b48f 100644 --- a/source/src_lcao/dftu_relax.cpp +++ b/source/src_lcao/dftu_relax.cpp @@ -319,14 +319,14 @@ void DFTU_RELAX::cal_stress_gamma(const double* rho_VU) const int one_int = 1; const double zero = 0.0, minus_half=-0.5, one=1.0; - std::vector dSR_gamma(GlobalC::ParaO.nloc); - std::vector dm_VU_sover(GlobalC::ParaO.nloc); + std::vector dSR_gamma(GlobalC::ParaO.nloc); + std::vector dm_VU_sover(GlobalC::ParaO.nloc); for(int dim1=0; dim1<3; dim1++) { for(int dim2=dim1; dim2<3; dim2++) { - this->fold_dSR_gamma(dim1, dim2, &dSR_gamma[0]); + this->fold_dSR_gamma(dim1, dim2, &dSR_gamma[0]); pdgemm_(&transN, &transN, &GlobalV::NLOCAL, &GlobalV::NLOCAL, &GlobalV::NLOCAL,