From 22e08fa6d6a2b98aedae605acd0ed648f67cc061 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Mon, 19 Jun 2017 11:14:03 +0200
Subject: [PATCH] Fixed bug

---
 data/basis/v5z-bfd            | 2 +-
 data/basis/vdz-bfd            | 2 +-
 data/basis/vqz-bfd            | 2 +-
 data/basis/vtz-bfd            | 2 +-
 src/MO_Basis/mos.irp.f        | 2 +-
 src/Utils/LinearAlgebra.irp.f | 4 ++--
 6 files changed, 7 insertions(+), 7 deletions(-)

diff --git a/data/basis/v5z-bfd b/data/basis/v5z-bfd
index 0afd2bfc..cb5e201f 100644
--- a/data/basis/v5z-bfd
+++ b/data/basis/v5z-bfd
@@ -862,7 +862,7 @@ S 9
   4 0.174186      0.435946
   5 0.312836      -0.008188
   6 0.561850      0.049509
-  7 9077      -0.114576
+  7 1.009077     -0.114576
   8 1.812290      -0.067207
   9 3.254852      0.017250
 S 1
diff --git a/data/basis/vdz-bfd b/data/basis/vdz-bfd
index 8ec29ffe..51952f57 100644
--- a/data/basis/vdz-bfd
+++ b/data/basis/vdz-bfd
@@ -898,7 +898,7 @@ S 9
   4 0.174186      0.435946
   5 0.312836      -0.008188
   6 0.561850      0.049509
-  7 9077      -0.114576
+  7 1.009077     -0.114576
   8 1.812290      -0.067207
   9 3.254852      0.017250
 S 1
diff --git a/data/basis/vqz-bfd b/data/basis/vqz-bfd
index b0fc8d65..cb759866 100644
--- a/data/basis/vqz-bfd
+++ b/data/basis/vqz-bfd
@@ -688,7 +688,7 @@ S 9
   4 0.174186      0.435946
   5 0.312836      -0.008188
   6 0.561850      0.049509
-  7 9077      -0.114576
+  7 1.009077     -0.114576
   8 1.812290      -0.067207
   9 3.254852      0.017250
 S 1
diff --git a/data/basis/vtz-bfd b/data/basis/vtz-bfd
index 2091118e..89d7da93 100644
--- a/data/basis/vtz-bfd
+++ b/data/basis/vtz-bfd
@@ -1150,7 +1150,7 @@ S 9
   4 0.174186      0.435946
   5 0.312836      -0.008188
   6 0.561850      0.049509
-  7 9077      -0.114576
+  7 1.009077     -0.114576
   8 1.812290      -0.067207
   9 3.254852      0.017250
 S 1
diff --git a/src/MO_Basis/mos.irp.f b/src/MO_Basis/mos.irp.f
index a7416c6b..260af392 100644
--- a/src/MO_Basis/mos.irp.f
+++ b/src/MO_Basis/mos.irp.f
@@ -289,7 +289,7 @@ subroutine ao_ortho_cano_to_ao(A_ao,LDA_ao,A,LDA)
       0.d0, T, ao_num_align)
   
   call dgemm('N','N', ao_num, ao_num, ao_num, 1.d0,          &
-      T, ao_num_align,                                               &
+      T, size(T,1),                                               &
       ao_ortho_canonical_coef_inv,size(ao_ortho_canonical_coef_inv,1),&
       0.d0, A, LDA)
   
diff --git a/src/Utils/LinearAlgebra.irp.f b/src/Utils/LinearAlgebra.irp.f
index 51b7b080..92bcdf53 100644
--- a/src/Utils/LinearAlgebra.irp.f
+++ b/src/Utils/LinearAlgebra.irp.f
@@ -72,8 +72,8 @@ subroutine ortho_canonical(overlap,LDA,N,C,LDC,m)
   double precision, allocatable  :: S_half(:,:)
   !DEC$ ATTRIBUTES ALIGN : 64    :: U, Vt, D
   integer                        :: info, i, j
-call ortho_lowdin(overlap,LDA,N,C,LDC,m)
-return
+!call ortho_lowdin(overlap,LDA,N,C,LDC,m)
+!return
   
   if (n < 2) then
     return