Adding num_occ(ikq) in arguments of sirius_linear_solver

electronic-structure · Apr 30, 2024 · fa45193 · fa45193
1 parent f996999
commit fa45193
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/LR_Modules/response_kernels.f90 b/LR_Modules/response_kernels.f90
@@ -265,8 +265,8 @@ SUBROUTINE sternheimer_kernel(first_iter, time_reversed, npert, lrdvpsi, iudvpsi
          CALL sirius_linear_solver( gs_handler, vkq=MATMUL(TRANSPOSE(at), xk(:,ikq)),&
             &num_gvec_kq_loc=npwq, gvec_kq_loc=vg_kq, dpsi=dpsi,&
             &psi=evq, eigvals=et(:, ikmk), dvpsi=dvpsi, ld=npwx, num_spin_comp=npol,&
-            &alpha_pv=alpha_pv, spin=current_spin, nbnd_occ=nbnd_occ(ikk), tol=thresh, &
-            & niter=num_iter)
+            &alpha_pv=alpha_pv, spin=current_spin, nbnd_occ_k=nbnd_occ(ikk),& 
+            &nbnd_occ_kq=nbnd_occ(ikq), tol=thresh, niter=num_iter)
          !
          DEALLOCATE(vg_kq)
 #else