diff --git a/Work.ipynb b/Work.ipynb
index c625a3d..d661f4a 100644
--- a/Work.ipynb
+++ b/Work.ipynb
@@ -1535,7 +1535,8 @@
    "source": [
     "(* Fonction de calcul de tous les alpha ER -> Matrice, dépend de m_a12, m_b12 qui dépendent de m_C *)\n",
     "let f_alpha m_C =\n",
-    "\n",
+    "    let n_mo = Mat.dim2 m_C\n",
+    "    in\n",
     "      (* Fonction de calcul de toutes les intégrales B_12 -> Matrice, dépend de m_C *)\n",
     "       let m_b12 = Mat.init_cols n_mo n_mo (fun i j -> \n",
     "       integral_general (fun a b e f i j ->\n",
@@ -1571,6 +1572,8 @@
     "(* Calcul de D -> critère à maximiser dans ER*)\n",
     "let s_D m_C = \n",
     "    let v_D = \n",
+    "    let n_mo = Mat.dim2 m_C\n",
+    "    in\n",
     "        let m_D = Mat.init_cols n_mo n_mo (fun i j ->\n",
     "                integral_general (fun a b e f i j -> m_C.{a,i} *. m_C.{b,i}  *. m_C.{e,i} *. m_C.{f,i} \n",
     "                   ) i j\n",
@@ -1590,19 +1593,20 @@
    "outputs": [],
    "source": [
     "(* Fonction calcul alpha Boys *)\n",
-    "let f_alpha_boys mo_coef = \n",
-    "\n",
+    "let f_alpha_boys m_C = \n",
+    "    let n_mo = Mat.dim2 m_C\n",
+    "    in\n",
     "    let phi_x_phi =\n",
     "          Multipole.matrix_x multipoles \n",
-    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef \n",
+    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef:m_C\n",
     "    in    \n",
     "    let phi_y_phi =\n",
     "          Multipole.matrix_y multipoles \n",
-    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef \n",
+    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef:m_C\n",
     "    in\n",
     "    let phi_z_phi =\n",
     "          Multipole.matrix_z multipoles \n",
-    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef\n",
+    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef:m_C\n",
     "    in      \n",
     "\n",
     "    let m_b12= \n",
@@ -1636,33 +1640,34 @@
    "source": [
     "(* Fonction de calcul de D Boys *)\n",
     "\n",
-    "let d_boys mo_coef = \n",
+    "let d_boys m_C = \n",
     "\n",
-    "    let phi_x2_phi =\n",
-    "          Multipole.matrix_x2 multipoles \n",
-    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef \n",
+    "    let phi_x_phi =\n",
+    "          Multipole.matrix_x multipoles \n",
+    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef:m_C \n",
     "    in\n",
     "    \n",
-    "    Util.debug_matrix \"phi_x2_phi\" phi_x2_phi;\n",
+    "    (*Util.debug_matrix \"phi_x_phi\" phi_x_phi;*)\n",
     "    \n",
-    "    let phi_y2_phi =\n",
-    "          Multipole.matrix_y2 multipoles \n",
-    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef \n",
+    "    let phi_y_phi =\n",
+    "          Multipole.matrix_y multipoles \n",
+    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef:m_C \n",
     "    in\n",
     "    \n",
-    "    Util.debug_matrix \"phi_y2_phi\" phi_y2_phi;\n",
+    "    (*Util.debug_matrix \"phi_y_phi\" phi_y_phi;*)\n",
     "    \n",
-    "    let phi_z2_phi =\n",
-    "          Multipole.matrix_z2 multipoles \n",
-    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef\n",
+    "    let phi_z_phi =\n",
+    "          Multipole.matrix_z multipoles \n",
+    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef:m_C\n",
     "\n",
     "    in\n",
     "    \n",
-    "    Util.debug_matrix \"phi_z2_phi\" phi_z2_phi;\n",
+    "    (*Util.debug_matrix \"phi_z_phi\" phi_z_phi;*)\n",
     "    \n",
     "    let v_D_boys = \n",
-    "    Vec.init n_mo ( fun i -> phi_x2_phi.{i,i} +. phi_y2_phi.{i,i} +. phi_z2_phi.{i,i})\n",
-    "\n",
+    "        let n_mo = Mat.dim2 m_C\n",
+    "        in\n",
+    "        Vec.init n_mo ( fun i -> (phi_x_phi.{i,i})**2. +. (phi_y_phi.{i,i})**2. +. (phi_z_phi.{i,i})**2.)\n",
     "in\n",
     "Vec.sum v_D_boys;;\n",
     "\n",
@@ -1690,7 +1695,7 @@
     "    in\n",
     "    let d_boys = d_boys m_C\n",
     "    in\n",
-    "    Printf.printf \"%f\\n\" d_boys;\n",
+    "    (*Printf.printf \"%f\\n\" d_boys;*)\n",
     "    let alpha_er = f_alpha m_C\n",
     "    in\n",
     "    let d_er = s_D m_C\n",
@@ -1748,6 +1753,8 @@
     "(* Détermination alpha_max et ses indices i et j.\n",
     "Si alpha max > pi/2 on soustrait pi/2 à la matrice des alphas de manière récursive *)\n",
     "let rec new_m_alpha m_alpha n_rec_alpha=\n",
+    "    let n_mo = Mat.dim1 m_alpha\n",
+    "    in\n",
     "    let alpha_m =\n",
     "        \n",
     "    (*Printf.printf \"%i\\n%!\" n_rec_alpha;*)\n",
@@ -1957,7 +1964,7 @@
    "outputs": [],
    "source": [
     "let toto = [4];;\n",
-    "let occ_m_C m_C toto= Mat.init_cols n_ao n_mo (fun i j ->\n",
+    "let occ_m_C m_C toto= Mat.init_cols n_ao 3 (fun i j ->\n",
     "    if not (List.mem j toto) \n",
     "        then m_C.{i,j}\n",
     "        else 0.);;\n",
@@ -2096,7 +2103,7 @@
     "(* Calcul *)\n",
     "(* Fonction / Matrice des coef / Méthode(\"Boys\" ou \"ER\") / Pas(=< 1.) / Nombre d'itérations max / \n",
     "0. (valeur de D pour initier la boucle) / critère de convergence sur D*)\n",
-    "final_m_C m_C \"boys\" 1. 3  0. 10e-7;;"
+    "final_m_C m_C \"boys\" 1. 20  0. 10e-7;;"
    ]
   },
   {