diff --git a/test.ipynb b/test.ipynb
index 933a369..c267153 100644
--- a/test.ipynb
+++ b/test.ipynb
@@ -271,9 +271,18 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 4,
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Hamiltonian and exchange field rotated. Elapsed time: 2.613376875 s\n",
+      "================================================================================================================================================================\n"
+     ]
+    }
+   ],
    "source": [
     "NO = dh.no  # shorthand for number of orbitals in the unit cell\n",
     "\n",
@@ -371,9 +380,18 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 5,
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Site and pair dictionaries created. Elapsed time: 2.628747208 s\n",
+      "================================================================================================================================================================\n"
+     ]
+    }
+   ],
    "source": [
     "# for every site we have to store 3 Greens function (and the associated _tmp-s) in the 3 reference directions\n",
     "for i, mag_ent in enumerate(magnetic_entities):\n",
@@ -477,9 +495,25 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 6,
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "k loop:   0%|          | 0/400 [00:00<?, ?it/s]"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "k set created. Elapsed time: 2.648811208 s\n",
+      "================================================================================================================================================================\n"
+     ]
+    }
+   ],
    "source": [
     "kset = make_kset(dirs=kdirs, NUMK=kset)  # generate k space sampling\n",
     "wkset = np.ones(len(kset)) / len(kset)  # generate weights for k points\n",
@@ -496,9 +530,18 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 7,
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Rotations done perpendicular to quantization axis. Elapsed time: 2.901047458 s\n",
+      "================================================================================================================================================================\n"
+     ]
+    }
+   ],
    "source": [
     "# this will contain the three hamiltonians in the reference directions needed to calculate the energy variations upon rotation\n",
     "hamiltonians = []\n",
@@ -550,9 +593,49 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 8,
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Starting matrix inversions\n",
+      "Total number of k points: 400\n",
+      "Number of energy samples per k point: 100\n",
+      "Total number of directions: 3\n",
+      "Total number of matrix inversions: 120000\n",
+      "The shape of the Hamiltonian and the Greens function is 84x84=7056\n",
+      "Memory taken by a single Hamiltonian is: 0.015625 KB\n",
+      "Expected memory usage per matrix inversion: 0.5 KB\n",
+      "Expected memory usage per k point for parallel inversion: 150.0 KB\n",
+      "Expected memory usage on root node: 58.59375 MB\n",
+      "================================================================================================================================================================\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "k loop: 100%|██████████| 400/400 [03:18<00:00,  2.01it/s]"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Calculated Greens functions. Elapsed time: 201.17534975 s\n",
+      "================================================================================================================================================================\n"
+     ]
+    },
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "\n"
+     ]
+    }
+   ],
    "source": [
     "if rank == root_node:\n",
     "    print(\"Starting matrix inversions\")\n",
@@ -645,9 +728,121 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 9,
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Magnetic entities integrated.\n",
+      "Pairs integrated.\n",
+      "Magnetic parameters calculated.\n",
+      "##################################################################### GROGU OUTPUT #############################################################################\n",
+      "================================================================================================================================================================\n",
+      "Input file: \n",
+      "Not yet specified.\n",
+      "Output file: \n",
+      "test.pickle\n",
+      "Number of nodes in the parallel cluster:  1\n",
+      "================================================================================================================================================================\n",
+      "Cell [Ang]: \n",
+      "[[ 3.79100000e+00  0.00000000e+00  0.00000000e+00]\n",
+      " [-1.89550000e+00  3.28310231e+00  0.00000000e+00]\n",
+      " [ 1.25954923e-15  2.18160327e-15  2.05700000e+01]]\n",
+      "================================================================================================================================================================\n",
+      "DFT axis: \n",
+      "[0 0 1]\n",
+      "Quantization axis and perpendicular rotation directions:\n",
+      "[1 0 0]  --»  [array([0, 1, 0]), array([0, 0, 1])]\n",
+      "[0 1 0]  --»  [array([1, 0, 0]), array([0, 0, 1])]\n",
+      "[0 0 1]  --»  [array([1, 0, 0]), array([0, 1, 0])]\n",
+      "================================================================================================================================================================\n",
+      "Parameters for the contour integral:\n",
+      "Number of k points:  20\n",
+      "k point directions:  xy\n",
+      "Ebot:  -13\n",
+      "Eset:  100\n",
+      "Esetp:  100\n",
+      "================================================================================================================================================================\n",
+      "Atomic information: \n",
+      "----------------------------------------------------------------------------------------------------------------------------------------------------------------\n",
+      "[atom index]Element(orbitals)        x [Ang]        y [Ang]        z [Ang]        Sx        Sy        Sz        Q        Lx        Ly        Lz        Jx        Jy        Jz\n",
+      "----------------------------------------------------------------------------------------------------------------------------------------------------------------\n",
+      "[3]Fe(2)        -7.339158738013707e-06        4.149278510690423e-06        11.657585837928032\n",
+      "\n",
+      "[4]Fe(2)        -7.326987662162937e-06        4.158274523275774e-06        8.912422537596708\n",
+      "\n",
+      "[5]Fe(2)        1.8954667088117545        1.0943913231921656        10.285002698393109\n",
+      "\n",
+      "================================================================================================================================================================\n",
+      "Exchange [meV]\n",
+      "----------------------------------------------------------------------------------------------------------------------------------------------------------------\n",
+      "Magnetic entity1        Magnetic entity2       [i  j  k]       d [Ang]\n",
+      "----------------------------------------------------------------------------------------------------------------------------------------------------------------\n",
+      "[3]Fe(2)        [4]Fe(2)        [0 0 0]        d [Ang] Not yet.\n",
+      "Isotropic:  -63.6758032703783\n",
+      "DMI:  [-9.33104051e-01 -1.01015977e-03 -2.89340046e-06]\n",
+      "Symmetric-anisotropy:  [-3.45194760e+00  1.37702774e+00  1.29440230e-03 -8.59287160e-04\n",
+      "  1.03571867e-04]\n",
+      "Energies for debugging: \n",
+      "array([[-6.22987755e-02, -9.33207623e-04,  9.33000479e-04,\n",
+      "        -6.16008834e-02],\n",
+      "       [-6.77166238e-02,  8.59287160e-07, -1.16103239e-06,\n",
+      "        -6.71277509e-02],\n",
+      "       [-4.95869253e-02, -1.29729570e-06, -1.29150890e-06,\n",
+      "        -4.95886050e-02]])\n",
+      "J_ii for debugging: (check if this is the same as in calculate_exchange_tensor)\n",
+      "array([-0.06712775, -0.04958693, -0.06229878])\n",
+      "Test J_xx = E(y,z) = E(z,y)\n",
+      "-0.06712775087066476 -0.04958860499691915\n",
+      "\n",
+      "[4]Fe(2)        [5]Fe(2)        [0 0 0]        d [Ang] Not yet.\n",
+      "Isotropic:  -60.98280300207994\n",
+      "DMI:  [-3.79822521e+00  6.14860175e+00  5.42292960e-03]\n",
+      "Symmetric-anisotropy:  [0.06335389 0.13420785 0.07070523 6.23730266 0.03599778]\n",
+      "Energies for debugging: \n",
+      "array([[-6.08485951e-02, -3.83422299e-03,  3.76222743e-03,\n",
+      "        -6.11803648e-02],\n",
+      "       [-6.06181097e-02, -6.23730266e-03,  6.05990085e-03,\n",
+      "        -6.09194491e-02],\n",
+      "       [-5.99054512e-02, -6.52823043e-05, -7.61281635e-05,\n",
+      "        -5.98235524e-02]])\n",
+      "J_ii for debugging: (check if this is the same as in calculate_exchange_tensor)\n",
+      "array([-0.06091945, -0.05990545, -0.0608486 ])\n",
+      "Test J_xx = E(y,z) = E(z,y)\n",
+      "-0.06091944910723846 -0.059823552399443855\n",
+      "\n",
+      "[3]Fe(2)        [5]Fe(2)        [0 0 0]        d [Ang] Not yet.\n",
+      "Isotropic:  -60.99404713886926\n",
+      "DMI:  [ 3.78607092e+00 -6.13231029e+00  5.42245509e-03]\n",
+      "Symmetric-anisotropy:  [ 0.05074819  0.13690999  0.07070521 -6.22528695 -0.04239585]\n",
+      "Energies for debugging: \n",
+      "array([[-6.08571371e-02,  3.82846677e-03, -3.74367506e-03,\n",
+      "        -6.11817053e-02],\n",
+      "       [-6.06264662e-02,  6.22528695e-03, -6.03933362e-03,\n",
+      "        -6.09432989e-02],\n",
+      "       [-5.99054277e-02, -6.52827577e-05, -7.61276679e-05,\n",
+      "        -5.98235222e-02]])\n",
+      "J_ii for debugging: (check if this is the same as in calculate_exchange_tensor)\n",
+      "array([-0.0609433 , -0.05990543, -0.06085714])\n",
+      "Test J_xx = E(y,z) = E(z,y)\n",
+      "-0.060943298947041494 -0.059823522197803146\n",
+      "\n",
+      "================================================================================================================================================================\n",
+      "Runtime information: \n",
+      "Total runtime: 199.56628429199998 s\n",
+      "----------------------------------------------------------------------------------------------------------------------------------------------------------------\n",
+      "Initial setup: 0.150397667 s\n",
+      "Hamiltonian conversion and XC field extraction: 0.802 s\n",
+      "Pair and site datastructure creatrions: 0.015 s\n",
+      "k set cration and distribution: 0.020 s\n",
+      "Rotating XC potential: 0.252 s\n",
+      "Greens function inversion: 198.274 s\n",
+      "Calculate energies and magnetic components: 0.052 s\n"
+     ]
+    }
+   ],
    "source": [
     "if rank == root_node:\n",
     "    # iterate over the magnetic entities\n",
@@ -730,9 +925,18 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 10,
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "ename": "SyntaxError",
+     "evalue": "invalid syntax (2508083104.py, line 2)",
+     "output_type": "error",
+     "traceback": [
+      "\u001b[0;36m  Cell \u001b[0;32mIn[10], line 2\u001b[0;36m\u001b[0m\n\u001b[0;31m    ================================================================================================================================================================\u001b[0m\n\u001b[0m    ^\u001b[0m\n\u001b[0;31mSyntaxError\u001b[0m\u001b[0;31m:\u001b[0m invalid syntax\n"
+     ]
+    }
+   ],
    "source": [
     "##################################################################### GROGU OUTPUT #############################################################################\n",
     "================================================================================================================================================================\n",