From 0fbd66d3ec98fe27379b74c71cdb78c35e2e7ef9 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 31 Jan 2023 11:22:51 +0100 Subject: [PATCH] Fix missing argument in on_hrmt_diag_split_degen_s_inv_half --- src/non_hermit_dav/new_routines.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/non_hermit_dav/new_routines.irp.f b/src/non_hermit_dav/new_routines.irp.f index 4dea5f66..8db044d3 100644 --- a/src/non_hermit_dav/new_routines.irp.f +++ b/src/non_hermit_dav/new_routines.irp.f @@ -377,7 +377,7 @@ subroutine non_hrmt_diag_split_degen_s_inv_half(n, A, leigvec, reigvec, n_real_e print*,'New vectors not bi-orthonormals at ', accu_nd call get_inv_half_nonsymmat_diago(S, n, S_nh_inv_half, complex_root) if(complex_root)then - call impose_biorthog_qr(n, n, leigvec_tmp, reigvec_tmp) ! bi-orthonormalization using QR + call impose_biorthog_qr(n, n, leigvec_tmp, reigvec_tmp, S) ! bi-orthonormalization using QR else print*,'S^{-1/2} exists !!' call bi_ortho_s_inv_half(n,leigvec_tmp,reigvec_tmp,S_nh_inv_half) ! use of S^{-1/2} bi-orthonormalization