fix an error

dzzz2001 · dzzz2001 · commit fdf63f64a3b2 · 2024-11-15T15:29:31.000+08:00
diff --git a/source/module_hamilt_lcao/module_gint/gint_k_pvpr.cpp b/source/module_hamilt_lcao/module_gint/gint_k_pvpr.cpp
@@ -117,7 +117,7 @@ void Gint_k::transfer_pvpR(hamilt::HContainer<std::complex<double>>* hR, const U
                         for (int icol = 0; icol < mat_nspin_1->get_col_size(); ++icol)
                         {
                             upper_mat->get_value(2*irow, 2*icol+1) = mat_nspin_1->get_value(irow, icol) +  std::complex<double>(0.0, 1.0) * mat_nspin_2->get_value(irow, icol);
-                            upper_mat->get_value(2*irow+1, 2*icol) = mat_nspin_1->get_value(irow, icol) -  std::complex<double>(0.0, 1.0) * mat_nspin_1->get_value(irow, icol);
+                            upper_mat->get_value(2*irow+1, 2*icol) = mat_nspin_1->get_value(irow, icol) -  std::complex<double>(0.0, 1.0) * mat_nspin_2->get_value(irow, icol);
                         }
                     }
                 }

Original file line number	Diff line number	Diff line change
`@@ -117,7 +117,7 @@ void Gint_k::transfer_pvpR(hamilt::HContainer<std::complex<double>>* hR, const U`
`117`	`117`	`for (int icol = 0; icol < mat_nspin_1->get_col_size(); ++icol)`
`118`	`118`	`{`
`119`	`119`	`upper_mat->get_value(2irow, 2icol+1) = mat_nspin_1->get_value(irow, icol) + std::complex<double>(0.0, 1.0) * mat_nspin_2->get_value(irow, icol);`
`120`		`- upper_mat->get_value(2irow+1, 2icol) = mat_nspin_1->get_value(irow, icol) - std::complex<double>(0.0, 1.0) * mat_nspin_1->get_value(irow, icol);`
	`120`	`+ upper_mat->get_value(2irow+1, 2icol) = mat_nspin_1->get_value(irow, icol) - std::complex<double>(0.0, 1.0) * mat_nspin_2->get_value(irow, icol);`
`121`	`121`	`}`
`122`	`122`	`}`
`123`	`123`	`}`