diff --git a/docs/source/conf.py b/docs/source/conf.py
index 34bc9cd..bf93ff0 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -20,8 +20,8 @@
 
 # -- Project information -----------------------------------------------------
 
-project = "WorkGraph Collections"
-copyright = "2023, Xing Wang"
+project = "ASE QuantumESPRESSO"
+copyright = "2024, Xing Wang"
 author = "Xing Wang"
 
 # The full version, including alpha/beta/rc tags
diff --git a/docs/source/installation.rst b/docs/source/installation.rst
index 78c6cfb..d5b2339 100644
--- a/docs/source/installation.rst
+++ b/docs/source/installation.rst
@@ -7,7 +7,7 @@ The recommended method of installation is to use the Python package manager |pip
 
 .. code-block:: console
 
-    $ pip install git+https://github.com/superstar54/workgraph-collections.git
+    $ pip install ase-quantumespresso
 
 
 This will install the latest version.
diff --git a/docs/source/quickstart.ipynb b/docs/source/quickstart.ipynb
index a8157b1..7e119f7 100644
--- a/docs/source/quickstart.ipynb
+++ b/docs/source/quickstart.ipynb
@@ -13,18 +13,22 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": 2,
    "metadata": {},
    "outputs": [
     {
-     "data": {
-      "text/plain": [
-       "-278.0726613506829"
-      ]
-     },
-     "execution_count": 10,
-     "metadata": {},
-     "output_type": "execute_result"
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "INFO:xmlschema:Resource 'XMLSchema.xsd' is already loaded\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "energy: -278.0726613506829\n"
+     ]
     }
    ],
    "source": [
@@ -51,161 +55,43 @@
     "    profile=profile,\n",
     "    pseudopotentials=pseudopotentials,\n",
     "    input_data=input_data,\n",
-    "    directory=\"test\",\n",
+    "    directory=\"calculation\",\n",
     "    kpts=[8, 8, 8],\n",
     ")\n",
     "atoms.calc = calc\n",
-    "atoms.get_potential_energy()"
+    "energy = atoms.get_potential_energy()\n",
+    "print(\"energy:\", energy)"
    ]
   },
   {
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "Here is the results:"
+    "Here are the results of the calculation:"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": 4,
    "metadata": {},
    "outputs": [
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "results:\n",
-      "output_band {'bands': {'energies': array([[-5.7582147 ,  6.21029835,  6.21029857,  6.21029903,  8.77617461,\n",
-      "         8.77618558,  8.77618696,  9.56732039],\n",
-      "       [-5.55405334,  4.60892119,  5.92074171,  5.92074218,  8.71320273,\n",
-      "         9.20163357,  9.2016577 , 10.91639464],\n",
-      "       [-4.95839291,  2.27860376,  5.44808179,  5.44808253,  8.24042894,\n",
-      "         9.72220395,  9.72221687, 13.12458414],\n",
-      "       [-4.0643594 ,  0.25688813,  5.11972177,  5.11972195,  7.8770698 ,\n",
-      "         9.66911303,  9.66922072, 14.09264244],\n",
-      "       [-3.42597226, -0.76637666,  5.00760458,  5.00760548,  7.74974373,\n",
-      "         9.5585018 ,  9.55852328, 13.93942198],\n",
-      "       [-5.4852536 ,  4.87517624,  5.40159313,  5.40159367,  8.22466469,\n",
-      "         9.91880897,  9.91883444, 10.60308052],\n",
-      "       [-5.01652832,  2.98216181,  4.8885215 ,  4.965073  ,  8.36176225,\n",
-      "         9.91972719, 10.68531957, 10.9729757 ],\n",
-      "       [-4.20136989,  0.91985933,  4.37278236,  4.61974963,  8.46216379,\n",
-      "         9.85666955, 10.68568426, 11.69095393],\n",
-      "       [-3.3394378 , -0.54466015,  3.92638084,  4.64376573,  8.40845154,\n",
-      "         9.73176832, 10.32160447, 13.59096494],\n",
-      "       [-3.58416699, -0.1737059 ,  3.74446611,  4.94085492,  8.57438069,\n",
-      "         9.84167173, 10.08822286, 14.1306794 ],\n",
-      "       [-4.50777564,  1.57956889,  3.8955226 ,  5.43363562,  8.93200641,\n",
-      "         9.8938822 , 10.07578337, 12.51406659],\n",
-      "       [-5.21780758,  3.52277758,  4.57857648,  5.91622452,  9.25412368,\n",
-      "         9.33782132,  9.57618096, 11.76150861],\n",
-      "       [-4.67609662,  2.68977109,  4.31632177,  4.31632186,  7.34395788,\n",
-      "         9.35278224, 11.97755398, 11.97757572],\n",
-      "       [-3.96594354,  1.26463276,  3.5349381 ,  3.99731861,  7.56513858,\n",
-      "         9.11275911, 12.21582716, 12.49211157],\n",
-      "       [-3.0395261 , -0.17837819,  2.67102931,  4.00019606,  7.73543535,\n",
-      "        10.66904422, 11.9610814 , 12.14374851],\n",
-      "       [-2.83506542, -0.43701251,  2.21210221,  4.31914958,  8.06031271,\n",
-      "        11.68663156, 11.70157761, 13.1801353 ],\n",
-      "       [-3.71401103,  0.72456785,  2.45227707,  4.87859385,  8.66548342,\n",
-      "        11.00607546, 11.35552754, 12.35736989],\n",
-      "       [-3.36332216,  0.45979531,  3.59799438,  3.59799444,  6.82886801,\n",
-      "         7.75703924, 14.26239177, 14.26240117],\n",
-      "       [-2.46570063, -0.62580988,  2.768904  ,  3.52166123,  7.10991283,\n",
-      "         8.18435176, 14.49029386, 14.57392774],\n",
-      "       [-2.02655839, -1.02265487,  1.90264243,  3.77964349,  7.41943233,\n",
-      "        10.34849617, 13.68818157, 14.24212325],\n",
-      "       [-1.61282116, -1.61282096,  3.35192357,  3.35192381,  6.92567976,\n",
-      "         6.92568062, 16.31907784, 16.31909948],\n",
-      "       [-4.42860586,  1.91621092,  3.49269407,  4.77909638,  8.66225693,\n",
-      "        10.11572206, 10.41630452, 11.72137335],\n",
-      "       [-3.54000429,  0.36308126,  2.88436735,  4.27680809,  9.09393775,\n",
-      "         9.77195011, 11.23874215, 12.15987666],\n",
-      "       [-2.88722115, -0.58271573,  2.75546728,  4.04670191,  9.28298835,\n",
-      "         9.35098401, 12.13291672, 13.34562402],\n",
-      "       [-3.16461316,  0.24060349,  2.84268849,  3.44604408,  8.16215526,\n",
-      "         8.86467323, 11.97354864, 14.2125503 ],\n",
-      "       [-2.28939419, -0.72785999,  2.14424429,  3.24518418,  8.60520294,\n",
-      "        10.50204672, 11.49472356, 13.66031456],\n",
-      "       [-2.64013208, -0.36446604,  1.97729554,  3.62158383,  9.08534096,\n",
-      "        10.76395069, 11.43428359, 13.25359708],\n",
-      "       [-1.53477173, -1.53477168,  2.78803297,  2.78803339,  8.18744617,\n",
-      "         8.18750588, 14.0686654 , 14.0686833 ],\n",
-      "       [-1.44875405, -1.44875383,  2.35214219,  2.3521424 , 10.49231616,\n",
-      "        10.49232524, 11.21859407, 11.21860183]]), 'units': 'eV', 'occupations': array([[2.00000000e+00, 1.99814740e+00, 1.99814739e+00, 1.99814736e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        2.38270390e-72, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        7.72010887e-46, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        5.22322824e-38, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        4.52192415e-71, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        1.41114730e-82, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        1.07267243e-86, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        4.29565684e-18, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        5.34559567e-28, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        3.55298972e-37, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        1.94837712e-58, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        9.10915053e-04, 1.94854924e-38, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        4.43354761e-10, 7.43444436e-68, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        3.22474111e-21, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        1.53938721e-05, 1.53932531e-05, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        4.06917443e-66, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        4.23729204e-68, 4.19153080e-68, 0.00000000e+00, 0.00000000e+00],\n",
-      "       [2.00000000e+00, 2.00000000e+00, 2.00000000e+00, 2.00000000e+00,\n",
-      "        0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00]])}}\n",
-      "output_trajectory TrajectoryData(steps=array([0]), cells=array([[[0.   , 2.715, 2.715],\n",
-      "        [2.715, 0.   , 2.715],\n",
-      "        [2.715, 2.715, 0.   ]]]), symbols=['Si', 'Si'], positions=array([[[0.    , 0.    , 0.    ],\n",
-      "        [1.3575, 1.3575, 1.3575]]]), arrays={'atomic_species_name': array(['Si', 'Si'], dtype='<U2'), 'scf_accuracy': array([7.62806780e-01, 3.03713054e-02, 6.81781212e-04, 1.08845534e-06]), 'energy_threshold': array([6.26e-07]), 'fermi_energy': array([6.5098]), 'energy': array([-278.07266135]), 'energy_accuracy': array([1.08845534e-06]), 'energy_smearing': array([-7.34707353e-06]), 'energy_one_electron': array([69.59358965]), 'energy_hartree': array([14.98626058]), 'energy_xc': array([-134.09125399]), 'energy_ewald': array([-228.56125025]), 'scf_iterations': array([4])})\n",
-      "output_structure Atoms(symbols='Si2', pbc=True, cell=[[0.0, 2.715, 2.715], [2.715, 0.0, 2.715], [2.715, 2.715, 0.0]], calculator=Espresso(...))\n",
-      "output_parameters {'lkpoint_dir': False, 'charge_density': './charge-density.dat', 'rho_cutoff_units': 'eV', 'wfc_cutoff_units': 'eV', 'fermi_energy_units': 'eV', 'symmetries_units': 'crystal', 'constraint_mag': 0, 'magnetization_angle2': [0.0], 'magnetization_angle1': [0.0], 'starting_magnetization': [0.0], 'has_electric_field': False, 'has_dipole_correction': False, 'lda_plus_u_calculation': False, 'format_name': 'QEXSD', 'format_version': '23.03.10', 'creator_name': 'pwscf', 'creator_version': '7.2', 'non_colinear_calculation': False, 'do_magnetization': False, 'time_reversal_flag': True, 'symmetries': [{'t_rev': '0', 'symmetry_number': 0}, {'t_rev': '0', 'symmetry_number': 1}, {'t_rev': '0', 'symmetry_number': 2}, {'t_rev': '0', 'symmetry_number': 3}, {'t_rev': '0', 'symmetry_number': 4}, {'t_rev': '0', 'symmetry_number': 5}, {'t_rev': '0', 'symmetry_number': 6}, {'t_rev': '0', 'symmetry_number': 7}, {'t_rev': '0', 'symmetry_number': 8}, {'t_rev': '0', 'symmetry_number': 9}, {'t_rev': '0', 'symmetry_number': 10}, {'t_rev': '0', 'symmetry_number': 11}, {'t_rev': '0', 'symmetry_number': 12}, {'t_rev': '0', 'symmetry_number': 13}, {'t_rev': '0', 'symmetry_number': 14}, {'t_rev': '0', 'symmetry_number': 15}, {'t_rev': '0', 'symmetry_number': 16}, {'t_rev': '0', 'symmetry_number': 17}, {'t_rev': '0', 'symmetry_number': 18}, {'t_rev': '0', 'symmetry_number': 19}, {'t_rev': '0', 'symmetry_number': 20}, {'t_rev': '0', 'symmetry_number': 21}, {'t_rev': '0', 'symmetry_number': 22}, {'t_rev': '0', 'symmetry_number': 23}, {'t_rev': '0', 'symmetry_number': 32}, {'t_rev': '0', 'symmetry_number': 33}, {'t_rev': '0', 'symmetry_number': 34}, {'t_rev': '0', 'symmetry_number': 35}, {'t_rev': '0', 'symmetry_number': 36}, {'t_rev': '0', 'symmetry_number': 37}, {'t_rev': '0', 'symmetry_number': 38}, {'t_rev': '0', 'symmetry_number': 39}, {'t_rev': '0', 'symmetry_number': 40}, {'t_rev': '0', 'symmetry_number': 41}, {'t_rev': '0', 'symmetry_number': 42}, {'t_rev': '0', 'symmetry_number': 43}, {'t_rev': '0', 'symmetry_number': 44}, {'t_rev': '0', 'symmetry_number': 45}, {'t_rev': '0', 'symmetry_number': 46}, {'t_rev': '0', 'symmetry_number': 47}, {'t_rev': '0', 'symmetry_number': 48}, {'t_rev': '0', 'symmetry_number': 49}, {'t_rev': '0', 'symmetry_number': 50}, {'t_rev': '0', 'symmetry_number': 51}, {'t_rev': '0', 'symmetry_number': 52}, {'t_rev': '0', 'symmetry_number': 53}, {'t_rev': '0', 'symmetry_number': 54}, {'t_rev': '0', 'symmetry_number': 55}], 'lattice_symmetries': [], 'do_not_use_time_reversal': False, 'spin_orbit_domag': False, 'fft_grid': [36, 36, 36], 'lsda': False, 'number_of_spin_components': 1, 'no_time_rev_operations': False, 'inversion_symmetry': True, 'number_of_bravais_symmetries': 48, 'number_of_symmetries': 48, 'wfc_cutoff': 408.170751759, 'rho_cutoff': 2721.13834506, 'smooth_fft_grid': [32, 32, 32], 'dft_exchange_correlation': 'PBE', 'spin_orbit_calculation': False, 'q_real_space': False, 'degauss': 0.136056917253, 'smearing_type': 'gaussian', 'number_of_bands': 8, 'fermi_energy': 6.5098, 'number_of_atomic_wfc': 8, 'number_of_k_points': 29, 'number_of_electrons': 8.0, 'monkhorst_pack_grid': [8, 8, 8], 'monkhorst_pack_offset': [0, 0, 0], 'occupations': 'smearing', 'beta_real_space': False, 'convergence_info': {'scf_conv': {'convergence_achieved': True, 'n_scf_steps': 4, 'scf_error': 4.089611249153573e-08}}, 'number_of_atoms': 2, 'number_of_species': 1, 'volume': 40.02575122514992, 'estimated_ram_per_process': 20.67, 'estimated_ram_per_process_units': 'MB', 'init_wall_time_seconds': 0.6, 'total_number_of_scf_iterations': 4, 'wall_time': '      1.54s ', 'wall_time_seconds': 1.54, 'energy_units': 'eV', 'energy_accuracy_units': 'eV', 'energy_smearing_units': 'eV', 'energy_one_electron_units': 'eV', 'energy_hartree_units': 'eV', 'energy_xc_units': 'eV', 'energy_ewald_units': 'eV', 'energy_threshold': 6.26e-07, 'energy': -278.0726613506829, 'energy_accuracy': 1.088455338024e-06, 'energy_smearing': -7.3470735316620004e-06, 'energy_one_electron': 69.59358964623371, 'energy_hartree': 14.986260584381604, 'energy_xc': -134.0912539889557, 'energy_ewald': -228.561250245269, 'scf_iterations': 4}\n",
-      "exit_code None\n",
-      "energy -278.0726613506829\n",
-      "atoms Atoms(symbols='Si2', pbc=True, cell=[[0.0, 2.715, 2.715], [2.715, 0.0, 2.715], [2.715, 2.715, 0.0]], calculator=Espresso(...))\n"
+      "output_band\n",
+      "output_trajectory\n",
+      "output_structure\n",
+      "output_parameters\n",
+      "exit_code\n",
+      "energy\n",
+      "atoms\n"
      ]
     }
    ],
    "source": [
-    "print(\"results:\")\n",
     "for key in atoms.calc.results:\n",
-    "    print(key, atoms.calc.results[key])\n"
+    "    print(key)\n"
    ]
   },
   {
@@ -217,28 +103,9 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 12,
+   "execution_count": 5,
    "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "{'x': {'array': array([-6.166, -6.156, -6.146, ..., 16.704, 16.714, 16.724]),\n",
-       "  'labels': 'dos_energy',\n",
-       "  'units': 'eV'},\n",
-       " 'y': {'arrays': [array([1.999e-08, 5.090e-08, 9.816e-08, ..., 1.600e+01, 1.600e+01,\n",
-       "          1.600e+01]),\n",
-       "   array([1.999e-06, 3.091e-06, 4.727e-06, ..., 3.302e-05, 2.168e-05,\n",
-       "          1.408e-05])],\n",
-       "  'labels': ['integrated_dos', 'dos'],\n",
-       "  'units': ['states', 'states/eV']}}"
-      ]
-     },
-     "execution_count": 12,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
+   "outputs": [],
    "source": [
     "from ase_quantumespresso.dos import DosTemplate\n",
     "from ase_quantumespresso.espresso import Espresso, EspressoProfile\n",
@@ -247,8 +114,8 @@
     "input_data = {}\n",
     "calc = Espresso(profile=profile, template=DosTemplate(),\n",
     "                input_data=input_data,\n",
-    "                directory=\"test\",)\n",
-    "calc.get_property(\"dos\")"
+    "                directory=\"calculation\",)\n",
+    "results = calc.get_property(\"dos\")"
    ]
   },
   {
@@ -260,23 +127,16 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 13,
+   "execution_count": 7,
    "metadata": {},
    "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "dict_keys(['x', 'y'])\n"
-     ]
-    },
     {
      "data": {
       "text/plain": [
-       "<matplotlib.legend.Legend at 0x7368117b6850>"
+       "<matplotlib.legend.Legend at 0x7d6db28ae1d0>"
       ]
      },
-     "execution_count": 13,
+     "execution_count": 7,
      "metadata": {},
      "output_type": "execute_result"
     },
@@ -294,13 +154,9 @@
    "source": [
     "import matplotlib.pyplot as plt\n",
     "\n",
-    "#------------------------- Print the output -------------------------\n",
     "dos_data = calc.results[\"dos\"]\n",
-    "print(dos_data.keys())\n",
-    "# make plots\n",
     "plt.figure(figsize = (8, 4))\n",
     "plt.plot(dos_data['x'][\"array\"], dos_data['y'][\"arrays\"][1], label='total')\n",
-    "# plt.plot(pdos_data['totol']['energy'], pdos_data['totol']['dos'], label='total')\n",
     "plt.yticks([])\n",
     "plt.xlabel('Energy (eV)')\n",
     "plt.ylabel('DOS')\n",
@@ -316,250 +172,15 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 14,
+   "execution_count": 1,
    "metadata": {},
    "outputs": [
     {
-     "name": "stdout",
+     "name": "stderr",
      "output_type": "stream",
      "text": [
-      "results:  dict_keys(['output_parameters', 'projections', 'bands', 'dos'])\n",
-      "results:  dict_keys(['output_parameters', 'projections', 'bands', 'dos', 'exit_code'])\n"
+      "INFO:xmlschema:Resource 'XMLSchema.xsd' is already loaded\n"
      ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "ProjectionData(orbitals=[<RealhydrogenOrbital: r0 S orbital for kind 'Si' @ 0.0000,0.0000,0.0000>, <RealhydrogenOrbital: r0 PZ orbital for kind 'Si' @ 0.0000,0.0000,0.0000>, <RealhydrogenOrbital: r0 PX orbital for kind 'Si' @ 0.0000,0.0000,0.0000>, <RealhydrogenOrbital: r0 PY orbital for kind 'Si' @ 0.0000,0.0000,0.0000>, <RealhydrogenOrbital: r0 S orbital for kind 'Si' @ 1.3575,1.3575,1.3575>, <RealhydrogenOrbital: r0 PZ orbital for kind 'Si' @ 1.3575,1.3575,1.3575>, <RealhydrogenOrbital: r0 PX orbital for kind 'Si' @ 1.3575,1.3575,1.3575>, <RealhydrogenOrbital: r0 PY orbital for kind 'Si' @ 1.3575,1.3575,1.3575>], list_of_projections=[array([[0.498, 0.   , 0.   , 0.   , 0.   , 0.   , 0.   , 0.494],\n",
-       "       [0.45 , 0.088, 0.   , 0.   , 0.16 , 0.   , 0.   , 0.29 ],\n",
-       "       [0.383, 0.142, 0.   , 0.   , 0.265, 0.   , 0.   , 0.179],\n",
-       "       [0.362, 0.148, 0.   , 0.   , 0.321, 0.   , 0.   , 0.035],\n",
-       "       [0.386, 0.119, 0.   , 0.   , 0.34 , 0.   , 0.   , 0.019],\n",
-       "       [0.437, 0.133, 0.   , 0.   , 0.058, 0.   , 0.   , 0.325],\n",
-       "       [0.382, 0.151, 0.   , 0.048, 0.084, 0.141, 0.   , 0.056],\n",
-       "       [0.35 , 0.165, 0.063, 0.   , 0.145, 0.09 , 0.   , 0.067],\n",
-       "       [0.366, 0.142, 0.064, 0.   , 0.183, 0.077, 0.   , 0.052],\n",
-       "       [0.356, 0.153, 0.059, 0.   , 0.2  , 0.057, 0.   , 0.071],\n",
-       "       [0.358, 0.163, 0.05 , 0.   , 0.187, 0.   , 0.04 , 0.119],\n",
-       "       [0.402, 0.138, 0.028, 0.   , 0.149, 0.   , 0.06 , 0.17 ],\n",
-       "       [0.354, 0.215, 0.   , 0.   , 0.135, 0.125, 0.   , 0.   ],\n",
-       "       [0.328, 0.226, 0.029, 0.   , 0.13 , 0.119, 0.053, 0.   ],\n",
-       "       [0.328, 0.215, 0.042, 0.   , 0.126, 0.079, 0.109, 0.   ],\n",
-       "       [0.341, 0.201, 0.04 , 0.   , 0.112, 0.086, 0.   , 0.072],\n",
-       "       [0.336, 0.21 , 0.037, 0.   , 0.103, 0.   , 0.077, 0.151],\n",
-       "       [0.308, 0.256, 0.   , 0.   , 0.169, 0.146, 0.   , 0.   ],\n",
-       "       [0.298, 0.272, 0.009, 0.   , 0.156, 0.136, 0.   , 0.038],\n",
-       "       [0.324, 0.258, 0.   , 0.   , 0.135, 0.091, 0.   , 0.057],\n",
-       "       [0.282, 0.282, 0.   , 0.   , 0.17 , 0.17 , 0.   , 0.   ],\n",
-       "       [0.348, 0.197, 0.035, 0.011, 0.081, 0.179, 0.   , 0.016],\n",
-       "       [0.334, 0.199, 0.054, 0.006, 0.1  , 0.063, 0.095, 0.029],\n",
-       "       [0.351, 0.175, 0.063, 0.002, 0.163, 0.013, 0.042, 0.026],\n",
-       "       [0.313, 0.257, 0.023, 0.   , 0.118, 0.117, 0.052, 0.008],\n",
-       "       [0.319, 0.26 , 0.013, 0.004, 0.101, 0.059, 0.095, 0.057],\n",
-       "       [0.324, 0.25 , 0.014, 0.006, 0.075, 0.047, 0.103, 0.06 ],\n",
-       "       [0.29 , 0.29 , 0.007, 0.007, 0.128, 0.129, 0.036, 0.036],\n",
-       "       [0.3  , 0.3  , 0.   , 0.   , 0.   , 0.   , 0.158, 0.158]]), array([[0.   , 0.16 , 0.16 , 0.16 , 0.161, 0.161, 0.161, 0.   ],\n",
-       "       [0.016, 0.133, 0.162, 0.162, 0.107, 0.159, 0.159, 0.064],\n",
-       "       [0.038, 0.117, 0.163, 0.163, 0.069, 0.148, 0.148, 0.088],\n",
-       "       [0.045, 0.115, 0.164, 0.164, 0.048, 0.132, 0.132, 0.036],\n",
-       "       [0.037, 0.125, 0.165, 0.165, 0.04 , 0.128, 0.128, 0.022],\n",
-       "       [0.02 , 0.118, 0.163, 0.163, 0.141, 0.156, 0.156, 0.044],\n",
-       "       [0.038, 0.114, 0.164, 0.148, 0.128, 0.11 , 0.148, 0.053],\n",
-       "       [0.049, 0.11 , 0.144, 0.165, 0.097, 0.112, 0.131, 0.048],\n",
-       "       [0.044, 0.118, 0.144, 0.165, 0.083, 0.104, 0.124, 0.048],\n",
-       "       [0.047, 0.114, 0.145, 0.165, 0.08 , 0.107, 0.127, 0.056],\n",
-       "       [0.047, 0.111, 0.148, 0.164, 0.09 , 0.147, 0.12 , 0.063],\n",
-       "       [0.032, 0.118, 0.154, 0.163, 0.109, 0.159, 0.131, 0.074],\n",
-       "       [0.048, 0.093, 0.165, 0.165, 0.113, 0.043, 0.144, 0.144],\n",
-       "       [0.056, 0.089, 0.156, 0.165, 0.106, 0.055, 0.113, 0.126],\n",
-       "       [0.057, 0.093, 0.151, 0.165, 0.096, 0.057, 0.095, 0.114],\n",
-       "       [0.053, 0.098, 0.152, 0.165, 0.1  , 0.061, 0.123, 0.053],\n",
-       "       [0.054, 0.095, 0.153, 0.165, 0.106, 0.151, 0.082, 0.067],\n",
-       "       [0.063, 0.08 , 0.166, 0.166, 0.096, 0.062, 0.126, 0.126],\n",
-       "       [0.066, 0.075, 0.163, 0.166, 0.089, 0.078, 0.108, 0.093],\n",
-       "       [0.058, 0.08 , 0.166, 0.166, 0.094, 0.063, 0.137, 0.036],\n",
-       "       [0.072, 0.072, 0.166, 0.166, 0.082, 0.082, 0.154, 0.154],\n",
-       "       [0.05 , 0.099, 0.153, 0.161, 0.126, 0.072, 0.085, 0.134],\n",
-       "       [0.055, 0.099, 0.147, 0.163, 0.102, 0.108, 0.062, 0.102],\n",
-       "       [0.049, 0.107, 0.144, 0.164, 0.086, 0.114, 0.099, 0.024],\n",
-       "       [0.062, 0.08 , 0.158, 0.165, 0.106, 0.062, 0.104, 0.116],\n",
-       "       [0.06 , 0.079, 0.161, 0.164, 0.096, 0.068, 0.096, 0.072],\n",
-       "       [0.058, 0.082, 0.161, 0.163, 0.103, 0.1  , 0.057, 0.045],\n",
-       "       [0.069, 0.069, 0.163, 0.163, 0.086, 0.086, 0.083, 0.083],\n",
-       "       [0.066, 0.066, 0.166, 0.166, 0.08 , 0.08 , 0.087, 0.087]]), array([[0.   , 0.16 , 0.16 , 0.16 , 0.161, 0.161, 0.161, 0.   ],\n",
-       "       [0.016, 0.133, 0.162, 0.162, 0.107, 0.159, 0.159, 0.064],\n",
-       "       [0.038, 0.117, 0.163, 0.163, 0.069, 0.148, 0.148, 0.088],\n",
-       "       [0.045, 0.115, 0.164, 0.164, 0.048, 0.132, 0.132, 0.036],\n",
-       "       [0.037, 0.125, 0.165, 0.165, 0.04 , 0.128, 0.128, 0.022],\n",
-       "       [0.02 , 0.118, 0.163, 0.163, 0.141, 0.156, 0.156, 0.044],\n",
-       "       [0.038, 0.114, 0.164, 0.148, 0.128, 0.11 , 0.148, 0.053],\n",
-       "       [0.049, 0.11 , 0.144, 0.165, 0.097, 0.112, 0.131, 0.048],\n",
-       "       [0.044, 0.118, 0.144, 0.165, 0.083, 0.104, 0.124, 0.048],\n",
-       "       [0.047, 0.114, 0.145, 0.165, 0.08 , 0.107, 0.127, 0.056],\n",
-       "       [0.047, 0.111, 0.148, 0.164, 0.09 , 0.147, 0.12 , 0.063],\n",
-       "       [0.032, 0.118, 0.154, 0.163, 0.109, 0.159, 0.131, 0.074],\n",
-       "       [0.048, 0.093, 0.165, 0.165, 0.113, 0.043, 0.144, 0.144],\n",
-       "       [0.056, 0.089, 0.156, 0.165, 0.106, 0.055, 0.113, 0.126],\n",
-       "       [0.057, 0.093, 0.151, 0.165, 0.096, 0.057, 0.095, 0.114],\n",
-       "       [0.053, 0.098, 0.152, 0.165, 0.1  , 0.061, 0.123, 0.053],\n",
-       "       [0.054, 0.095, 0.153, 0.165, 0.106, 0.151, 0.082, 0.067],\n",
-       "       [0.063, 0.08 , 0.166, 0.166, 0.096, 0.062, 0.126, 0.126],\n",
-       "       [0.066, 0.075, 0.163, 0.166, 0.089, 0.078, 0.108, 0.093],\n",
-       "       [0.058, 0.08 , 0.166, 0.166, 0.094, 0.063, 0.137, 0.036],\n",
-       "       [0.072, 0.072, 0.166, 0.166, 0.082, 0.082, 0.154, 0.154],\n",
-       "       [0.05 , 0.099, 0.153, 0.161, 0.126, 0.072, 0.085, 0.134],\n",
-       "       [0.055, 0.099, 0.147, 0.163, 0.102, 0.108, 0.062, 0.102],\n",
-       "       [0.049, 0.107, 0.144, 0.164, 0.086, 0.114, 0.099, 0.024],\n",
-       "       [0.062, 0.08 , 0.158, 0.165, 0.106, 0.062, 0.104, 0.116],\n",
-       "       [0.06 , 0.079, 0.161, 0.164, 0.096, 0.068, 0.096, 0.072],\n",
-       "       [0.058, 0.082, 0.161, 0.163, 0.103, 0.1  , 0.057, 0.045],\n",
-       "       [0.069, 0.069, 0.163, 0.163, 0.086, 0.086, 0.083, 0.083],\n",
-       "       [0.066, 0.066, 0.166, 0.166, 0.08 , 0.08 , 0.087, 0.087]]), array([[0.   , 0.16 , 0.16 , 0.16 , 0.161, 0.161, 0.161, 0.   ],\n",
-       "       [0.016, 0.133, 0.162, 0.162, 0.107, 0.159, 0.159, 0.064],\n",
-       "       [0.038, 0.117, 0.163, 0.163, 0.069, 0.148, 0.148, 0.088],\n",
-       "       [0.045, 0.115, 0.164, 0.164, 0.048, 0.132, 0.132, 0.036],\n",
-       "       [0.037, 0.125, 0.165, 0.165, 0.04 , 0.128, 0.128, 0.022],\n",
-       "       [0.02 , 0.118, 0.163, 0.163, 0.141, 0.156, 0.156, 0.044],\n",
-       "       [0.038, 0.114, 0.164, 0.148, 0.128, 0.11 , 0.148, 0.053],\n",
-       "       [0.049, 0.11 , 0.144, 0.165, 0.097, 0.112, 0.131, 0.048],\n",
-       "       [0.044, 0.118, 0.144, 0.165, 0.083, 0.104, 0.124, 0.048],\n",
-       "       [0.047, 0.114, 0.145, 0.165, 0.08 , 0.107, 0.127, 0.056],\n",
-       "       [0.047, 0.111, 0.148, 0.164, 0.09 , 0.147, 0.12 , 0.063],\n",
-       "       [0.032, 0.118, 0.154, 0.163, 0.109, 0.159, 0.131, 0.074],\n",
-       "       [0.048, 0.093, 0.165, 0.165, 0.113, 0.043, 0.144, 0.144],\n",
-       "       [0.056, 0.089, 0.156, 0.165, 0.106, 0.055, 0.113, 0.126],\n",
-       "       [0.057, 0.093, 0.151, 0.165, 0.096, 0.057, 0.095, 0.114],\n",
-       "       [0.053, 0.098, 0.152, 0.165, 0.1  , 0.061, 0.123, 0.053],\n",
-       "       [0.054, 0.095, 0.153, 0.165, 0.106, 0.151, 0.082, 0.067],\n",
-       "       [0.063, 0.08 , 0.166, 0.166, 0.096, 0.062, 0.126, 0.126],\n",
-       "       [0.066, 0.075, 0.163, 0.166, 0.089, 0.078, 0.108, 0.093],\n",
-       "       [0.058, 0.08 , 0.166, 0.166, 0.094, 0.063, 0.137, 0.036],\n",
-       "       [0.072, 0.072, 0.166, 0.166, 0.082, 0.082, 0.154, 0.154],\n",
-       "       [0.05 , 0.099, 0.153, 0.161, 0.126, 0.072, 0.085, 0.134],\n",
-       "       [0.055, 0.099, 0.147, 0.163, 0.102, 0.108, 0.062, 0.102],\n",
-       "       [0.049, 0.107, 0.144, 0.164, 0.086, 0.114, 0.099, 0.024],\n",
-       "       [0.062, 0.08 , 0.158, 0.165, 0.106, 0.062, 0.104, 0.116],\n",
-       "       [0.06 , 0.079, 0.161, 0.164, 0.096, 0.068, 0.096, 0.072],\n",
-       "       [0.058, 0.082, 0.161, 0.163, 0.103, 0.1  , 0.057, 0.045],\n",
-       "       [0.069, 0.069, 0.163, 0.163, 0.086, 0.086, 0.083, 0.083],\n",
-       "       [0.066, 0.066, 0.166, 0.166, 0.08 , 0.08 , 0.087, 0.087]]), array([[0.498, 0.   , 0.   , 0.   , 0.   , 0.   , 0.   , 0.494],\n",
-       "       [0.45 , 0.088, 0.   , 0.   , 0.16 , 0.   , 0.   , 0.29 ],\n",
-       "       [0.383, 0.142, 0.   , 0.   , 0.265, 0.   , 0.   , 0.179],\n",
-       "       [0.362, 0.148, 0.   , 0.   , 0.321, 0.   , 0.   , 0.035],\n",
-       "       [0.386, 0.119, 0.   , 0.   , 0.34 , 0.   , 0.   , 0.019],\n",
-       "       [0.437, 0.133, 0.   , 0.   , 0.058, 0.   , 0.   , 0.325],\n",
-       "       [0.382, 0.151, 0.   , 0.048, 0.084, 0.141, 0.   , 0.056],\n",
-       "       [0.35 , 0.165, 0.063, 0.   , 0.145, 0.09 , 0.   , 0.067],\n",
-       "       [0.366, 0.142, 0.064, 0.   , 0.183, 0.077, 0.   , 0.052],\n",
-       "       [0.356, 0.153, 0.059, 0.   , 0.2  , 0.057, 0.   , 0.071],\n",
-       "       [0.358, 0.163, 0.05 , 0.   , 0.187, 0.   , 0.04 , 0.119],\n",
-       "       [0.402, 0.138, 0.028, 0.   , 0.149, 0.   , 0.06 , 0.17 ],\n",
-       "       [0.354, 0.215, 0.   , 0.   , 0.135, 0.125, 0.   , 0.   ],\n",
-       "       [0.328, 0.226, 0.029, 0.   , 0.13 , 0.119, 0.053, 0.   ],\n",
-       "       [0.328, 0.215, 0.042, 0.   , 0.126, 0.079, 0.109, 0.   ],\n",
-       "       [0.341, 0.201, 0.04 , 0.   , 0.112, 0.086, 0.   , 0.072],\n",
-       "       [0.336, 0.21 , 0.037, 0.   , 0.103, 0.   , 0.077, 0.151],\n",
-       "       [0.308, 0.256, 0.   , 0.   , 0.169, 0.146, 0.   , 0.   ],\n",
-       "       [0.298, 0.272, 0.009, 0.   , 0.156, 0.136, 0.   , 0.038],\n",
-       "       [0.324, 0.258, 0.   , 0.   , 0.135, 0.091, 0.   , 0.057],\n",
-       "       [0.282, 0.282, 0.   , 0.   , 0.17 , 0.17 , 0.   , 0.   ],\n",
-       "       [0.348, 0.197, 0.035, 0.011, 0.081, 0.179, 0.   , 0.016],\n",
-       "       [0.334, 0.199, 0.054, 0.006, 0.1  , 0.063, 0.095, 0.029],\n",
-       "       [0.351, 0.175, 0.063, 0.002, 0.163, 0.013, 0.042, 0.026],\n",
-       "       [0.313, 0.257, 0.023, 0.   , 0.118, 0.117, 0.052, 0.008],\n",
-       "       [0.319, 0.26 , 0.013, 0.004, 0.101, 0.059, 0.095, 0.057],\n",
-       "       [0.324, 0.25 , 0.014, 0.006, 0.075, 0.047, 0.103, 0.06 ],\n",
-       "       [0.29 , 0.29 , 0.007, 0.007, 0.128, 0.129, 0.036, 0.036],\n",
-       "       [0.3  , 0.3  , 0.   , 0.   , 0.   , 0.   , 0.158, 0.158]]), array([[0.   , 0.16 , 0.16 , 0.16 , 0.161, 0.161, 0.161, 0.   ],\n",
-       "       [0.016, 0.133, 0.162, 0.162, 0.107, 0.159, 0.159, 0.064],\n",
-       "       [0.038, 0.117, 0.163, 0.163, 0.069, 0.148, 0.148, 0.088],\n",
-       "       [0.045, 0.115, 0.164, 0.164, 0.048, 0.132, 0.132, 0.036],\n",
-       "       [0.037, 0.125, 0.165, 0.165, 0.04 , 0.128, 0.128, 0.022],\n",
-       "       [0.02 , 0.118, 0.163, 0.163, 0.141, 0.156, 0.156, 0.044],\n",
-       "       [0.038, 0.114, 0.164, 0.148, 0.128, 0.11 , 0.148, 0.053],\n",
-       "       [0.049, 0.11 , 0.144, 0.165, 0.097, 0.112, 0.131, 0.048],\n",
-       "       [0.044, 0.118, 0.144, 0.165, 0.083, 0.104, 0.124, 0.048],\n",
-       "       [0.047, 0.114, 0.145, 0.165, 0.08 , 0.107, 0.127, 0.056],\n",
-       "       [0.047, 0.111, 0.148, 0.164, 0.09 , 0.147, 0.12 , 0.063],\n",
-       "       [0.032, 0.118, 0.154, 0.163, 0.109, 0.159, 0.131, 0.074],\n",
-       "       [0.048, 0.093, 0.165, 0.165, 0.113, 0.043, 0.144, 0.144],\n",
-       "       [0.056, 0.089, 0.156, 0.165, 0.106, 0.055, 0.113, 0.126],\n",
-       "       [0.057, 0.093, 0.151, 0.165, 0.096, 0.057, 0.095, 0.114],\n",
-       "       [0.053, 0.098, 0.152, 0.165, 0.1  , 0.061, 0.123, 0.053],\n",
-       "       [0.054, 0.095, 0.153, 0.165, 0.106, 0.151, 0.082, 0.067],\n",
-       "       [0.063, 0.08 , 0.166, 0.166, 0.096, 0.062, 0.126, 0.126],\n",
-       "       [0.066, 0.075, 0.163, 0.166, 0.089, 0.078, 0.108, 0.093],\n",
-       "       [0.058, 0.08 , 0.166, 0.166, 0.094, 0.063, 0.137, 0.036],\n",
-       "       [0.072, 0.072, 0.166, 0.166, 0.082, 0.082, 0.154, 0.154],\n",
-       "       [0.05 , 0.099, 0.153, 0.161, 0.126, 0.072, 0.085, 0.134],\n",
-       "       [0.055, 0.099, 0.147, 0.163, 0.102, 0.108, 0.062, 0.102],\n",
-       "       [0.049, 0.107, 0.144, 0.164, 0.086, 0.114, 0.099, 0.024],\n",
-       "       [0.062, 0.08 , 0.158, 0.165, 0.106, 0.062, 0.104, 0.116],\n",
-       "       [0.06 , 0.079, 0.161, 0.164, 0.096, 0.068, 0.096, 0.072],\n",
-       "       [0.058, 0.082, 0.161, 0.163, 0.103, 0.1  , 0.057, 0.045],\n",
-       "       [0.069, 0.069, 0.163, 0.163, 0.086, 0.086, 0.083, 0.083],\n",
-       "       [0.066, 0.066, 0.166, 0.166, 0.08 , 0.08 , 0.087, 0.087]]), array([[0.   , 0.16 , 0.16 , 0.16 , 0.161, 0.161, 0.161, 0.   ],\n",
-       "       [0.016, 0.133, 0.162, 0.162, 0.107, 0.159, 0.159, 0.064],\n",
-       "       [0.038, 0.117, 0.163, 0.163, 0.069, 0.148, 0.148, 0.088],\n",
-       "       [0.045, 0.115, 0.164, 0.164, 0.048, 0.132, 0.132, 0.036],\n",
-       "       [0.037, 0.125, 0.165, 0.165, 0.04 , 0.128, 0.128, 0.022],\n",
-       "       [0.02 , 0.118, 0.163, 0.163, 0.141, 0.156, 0.156, 0.044],\n",
-       "       [0.038, 0.114, 0.164, 0.148, 0.128, 0.11 , 0.148, 0.053],\n",
-       "       [0.049, 0.11 , 0.144, 0.165, 0.097, 0.112, 0.131, 0.048],\n",
-       "       [0.044, 0.118, 0.144, 0.165, 0.083, 0.104, 0.124, 0.048],\n",
-       "       [0.047, 0.114, 0.145, 0.165, 0.08 , 0.107, 0.127, 0.056],\n",
-       "       [0.047, 0.111, 0.148, 0.164, 0.09 , 0.147, 0.12 , 0.063],\n",
-       "       [0.032, 0.118, 0.154, 0.163, 0.109, 0.159, 0.131, 0.074],\n",
-       "       [0.048, 0.093, 0.165, 0.165, 0.113, 0.043, 0.144, 0.144],\n",
-       "       [0.056, 0.089, 0.156, 0.165, 0.106, 0.055, 0.113, 0.126],\n",
-       "       [0.057, 0.093, 0.151, 0.165, 0.096, 0.057, 0.095, 0.114],\n",
-       "       [0.053, 0.098, 0.152, 0.165, 0.1  , 0.061, 0.123, 0.053],\n",
-       "       [0.054, 0.095, 0.153, 0.165, 0.106, 0.151, 0.082, 0.067],\n",
-       "       [0.063, 0.08 , 0.166, 0.166, 0.096, 0.062, 0.126, 0.126],\n",
-       "       [0.066, 0.075, 0.163, 0.166, 0.089, 0.078, 0.108, 0.093],\n",
-       "       [0.058, 0.08 , 0.166, 0.166, 0.094, 0.063, 0.137, 0.036],\n",
-       "       [0.072, 0.072, 0.166, 0.166, 0.082, 0.082, 0.154, 0.154],\n",
-       "       [0.05 , 0.099, 0.153, 0.161, 0.126, 0.072, 0.085, 0.134],\n",
-       "       [0.055, 0.099, 0.147, 0.163, 0.102, 0.108, 0.062, 0.102],\n",
-       "       [0.049, 0.107, 0.144, 0.164, 0.086, 0.114, 0.099, 0.024],\n",
-       "       [0.062, 0.08 , 0.158, 0.165, 0.106, 0.062, 0.104, 0.116],\n",
-       "       [0.06 , 0.079, 0.161, 0.164, 0.096, 0.068, 0.096, 0.072],\n",
-       "       [0.058, 0.082, 0.161, 0.163, 0.103, 0.1  , 0.057, 0.045],\n",
-       "       [0.069, 0.069, 0.163, 0.163, 0.086, 0.086, 0.083, 0.083],\n",
-       "       [0.066, 0.066, 0.166, 0.166, 0.08 , 0.08 , 0.087, 0.087]]), array([[0.   , 0.16 , 0.16 , 0.16 , 0.161, 0.161, 0.161, 0.   ],\n",
-       "       [0.016, 0.133, 0.162, 0.162, 0.107, 0.159, 0.159, 0.064],\n",
-       "       [0.038, 0.117, 0.163, 0.163, 0.069, 0.148, 0.148, 0.088],\n",
-       "       [0.045, 0.115, 0.164, 0.164, 0.048, 0.132, 0.132, 0.036],\n",
-       "       [0.037, 0.125, 0.165, 0.165, 0.04 , 0.128, 0.128, 0.022],\n",
-       "       [0.02 , 0.118, 0.163, 0.163, 0.141, 0.156, 0.156, 0.044],\n",
-       "       [0.038, 0.114, 0.164, 0.148, 0.128, 0.11 , 0.148, 0.053],\n",
-       "       [0.049, 0.11 , 0.144, 0.165, 0.097, 0.112, 0.131, 0.048],\n",
-       "       [0.044, 0.118, 0.144, 0.165, 0.083, 0.104, 0.124, 0.048],\n",
-       "       [0.047, 0.114, 0.145, 0.165, 0.08 , 0.107, 0.127, 0.056],\n",
-       "       [0.047, 0.111, 0.148, 0.164, 0.09 , 0.147, 0.12 , 0.063],\n",
-       "       [0.032, 0.118, 0.154, 0.163, 0.109, 0.159, 0.131, 0.074],\n",
-       "       [0.048, 0.093, 0.165, 0.165, 0.113, 0.043, 0.144, 0.144],\n",
-       "       [0.056, 0.089, 0.156, 0.165, 0.106, 0.055, 0.113, 0.126],\n",
-       "       [0.057, 0.093, 0.151, 0.165, 0.096, 0.057, 0.095, 0.114],\n",
-       "       [0.053, 0.098, 0.152, 0.165, 0.1  , 0.061, 0.123, 0.053],\n",
-       "       [0.054, 0.095, 0.153, 0.165, 0.106, 0.151, 0.082, 0.067],\n",
-       "       [0.063, 0.08 , 0.166, 0.166, 0.096, 0.062, 0.126, 0.126],\n",
-       "       [0.066, 0.075, 0.163, 0.166, 0.089, 0.078, 0.108, 0.093],\n",
-       "       [0.058, 0.08 , 0.166, 0.166, 0.094, 0.063, 0.137, 0.036],\n",
-       "       [0.072, 0.072, 0.166, 0.166, 0.082, 0.082, 0.154, 0.154],\n",
-       "       [0.05 , 0.099, 0.153, 0.161, 0.126, 0.072, 0.085, 0.134],\n",
-       "       [0.055, 0.099, 0.147, 0.163, 0.102, 0.108, 0.062, 0.102],\n",
-       "       [0.049, 0.107, 0.144, 0.164, 0.086, 0.114, 0.099, 0.024],\n",
-       "       [0.062, 0.08 , 0.158, 0.165, 0.106, 0.062, 0.104, 0.116],\n",
-       "       [0.06 , 0.079, 0.161, 0.164, 0.096, 0.068, 0.096, 0.072],\n",
-       "       [0.058, 0.082, 0.161, 0.163, 0.103, 0.1  , 0.057, 0.045],\n",
-       "       [0.069, 0.069, 0.163, 0.163, 0.086, 0.086, 0.083, 0.083],\n",
-       "       [0.066, 0.066, 0.166, 0.166, 0.08 , 0.08 , 0.087, 0.087]])], list_of_energy=[array([-6.166, -6.156, -6.146, ..., 16.714, 16.724, 16.734]), array([-6.166, -6.156, -6.146, ..., 16.714, 16.724, 16.734]), array([-6.166, -6.156, -6.146, ..., 16.714, 16.724, 16.734]), array([-6.166, -6.156, -6.146, ..., 16.714, 16.724, 16.734]), array([-6.166, -6.156, -6.146, ..., 16.714, 16.724, 16.734]), array([-6.166, -6.156, -6.146, ..., 16.714, 16.724, 16.734]), array([-6.166, -6.156, -6.146, ..., 16.714, 16.724, 16.734]), array([-6.166, -6.156, -6.146, ..., 16.714, 16.724, 16.734])], list_of_pdos=[array([9.96e-07, 1.54e-06, 2.35e-06, ..., 4.21e-12, 2.74e-12, 1.76e-12]), array([3.31e-12, 6.38e-12, 1.22e-11, ..., 3.34e-06, 2.17e-06, 1.40e-06]), array([3.31e-12, 6.38e-12, 1.22e-11, ..., 3.34e-06, 2.17e-06, 1.40e-06]), array([3.31e-12, 6.38e-12, 1.22e-11, ..., 3.34e-06, 2.17e-06, 1.40e-06]), array([9.96e-07, 1.54e-06, 2.35e-06, ..., 4.21e-12, 2.74e-12, 1.76e-12]), array([3.31e-12, 6.38e-12, 1.22e-11, ..., 3.34e-06, 2.17e-06, 1.40e-06]), array([3.31e-12, 6.38e-12, 1.22e-11, ..., 3.34e-06, 2.17e-06, 1.40e-06]), array([3.31e-12, 6.38e-12, 1.22e-11, ..., 3.34e-06, 2.17e-06, 1.40e-06])], bands_check=False, bands_data=BandStructure(path=BandPath(path='', cell=[3x3], special_points={}, kpts=[29x3]), energies=[1x29x8 values], reference=0.0))"
-      ]
-     },
-     "execution_count": 14,
-     "metadata": {},
-     "output_type": "execute_result"
     }
    ],
    "source": [
@@ -570,8 +191,8 @@
     "input_data = {}\n",
     "calc = Espresso(profile=profile, template=ProjwfcTemplate(),\n",
     "                input_data=input_data,\n",
-    "                directory=\"test\",)\n",
-    "calc.get_property(\"projections\")"
+    "                directory=\"calculation\",)\n",
+    "results = calc.get_property(\"projections\")"
    ]
   },
   {
@@ -583,16 +204,16 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 15,
+   "execution_count": 2,
    "metadata": {},
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "<matplotlib.legend.Legend at 0x7368107c0510>"
+       "<matplotlib.legend.Legend at 0x7687736e9190>"
       ]
      },
-     "execution_count": 15,
+     "execution_count": 2,
      "metadata": {},
      "output_type": "execute_result"
     },
@@ -610,11 +231,9 @@
    "source": [
     "import matplotlib.pyplot as plt\n",
     "\n",
-    "#------------------------- Print the output -------------------------\n",
     "orbitals = calc.results[\"projections\"].orbitals\n",
     "pdos_data = calc.results[\"projections\"].list_of_pdos\n",
     "energy_data = calc.results[\"projections\"].list_of_energy\n",
-    "# make plots\n",
     "plt.figure(figsize = (8, 4))\n",
     "for i in range(len(pdos_data)):\n",
     "    orbital_data = orbitals[i].get_orbital_dict()\n",
@@ -622,7 +241,6 @@
     "    orbital = orbitals[i].get_name_from_quantum_numbers(orbital_data[\"angular_momentum\"], orbital_data[\"magnetic_number\"]\n",
     "        ).lower()\n",
     "    plt.plot(energy_data[i], pdos_data[i], label=f\"{kind_name}-{orbital}\")\n",
-    "# plt.plot(pdos_data['totol']['energy'], pdos_data['totol']['dos'], label='total')\n",
     "plt.yticks([])\n",
     "plt.xlabel('Energy (eV)')\n",
     "plt.ylabel('DOS')\n",
diff --git a/src/ase_quantumespresso/__init__.py b/src/ase_quantumespresso/__init__.py
index baef9a8..09a74c9 100644
--- a/src/ase_quantumespresso/__init__.py
+++ b/src/ase_quantumespresso/__init__.py
@@ -5,4 +5,11 @@
 from .ld1 import Ld1Template
 
 
-__all__ = ["Espresso", "PwTemplate", "DosTemplate", "ProjwfcTemplate", "PpTemplate", "Ld1Template"]
+__all__ = [
+    "Espresso",
+    "PwTemplate",
+    "DosTemplate",
+    "ProjwfcTemplate",
+    "PpTemplate",
+    "Ld1Template",
+]
diff --git a/src/ase_quantumespresso/ld1.py b/src/ase_quantumespresso/ld1.py
index 37614e7..210045c 100644
--- a/src/ase_quantumespresso/ld1.py
+++ b/src/ase_quantumespresso/ld1.py
@@ -1,8 +1,9 @@
 from .namelist import NamelistTemplate
-import re
+
 
 class Ld1Template(NamelistTemplate):
     _label = "ld1"
+    outputname = "ld1.ld1o"
 
     def __init__(self):
         super().__init__(
@@ -13,6 +14,7 @@ def __init__(self):
 
     def write_input(self, profile, directory, atoms, parameters, properties):
         from ase.io.espresso_namelist.keys import ld1_keys
+
         # I removed the "test" key from ld1_keys, because it was causing the following error:
         # Error: reading number of pseudo wavefunctions (nwfs)
         ld1_keys.pop("test")
@@ -22,38 +24,11 @@ def write_input(self, profile, directory, atoms, parameters, properties):
         super().write_input(profile, directory, atoms, parameters, properties)
 
     def read_results(self, directory):
-        path = directory / "ld1.ld1o"
-        with open(path, "r") as f:
-            energy_data = parse_energy_totals(f.read())
-        
-        return {"ld1": energy_data}
-
-
+        from .parsers.ld1 import Ld1Parser
 
-def parse_energy_totals(text):
-    # Pattern to find Etot and Etotps lines and capture relevant parts
-    etot_pattern = r"Etot\s+=\s+([-\d\.]+)\s+Ry,\s+([-\d\.]+)\s+Ha,\s+([-\d\.]+)\s+eV"
-    etotps_pattern = r"Etotps\s+=\s+([-\d\.]+)\s+Ry,\s+([-\d\.]+)\s+Ha,\s+([-\d\.]+)\s+eV"
-    
-    # Search for patterns and extract values
-    etot_match = re.search(etot_pattern, text)
-    etotps_match = re.search(etotps_pattern, text)
-    
-    # Structured data
-    energy_data = {}
-    
-    if etot_match:
-        energy_data['Etot'] = {
-            'Ry': float(etot_match.group(1)),
-            'Ha': float(etot_match.group(2)),
-            'eV': float(etot_match.group(3))
-        }
-    
-    if etotps_match:
-        energy_data['Etotps'] = {
-            'Ry': float(etotps_match.group(1)),
-            'Ha': float(etotps_match.group(2)),
-            'eV': float(etotps_match.group(3))
-        }
-    
-    return energy_data
\ No newline at end of file
+        parser = Ld1Parser(directory, self.outputname)
+        exit_code = parser.parse()
+        results = parser.results
+        results["exit_code"] = exit_code
+        print("results", results)
+        return results
diff --git a/src/ase_quantumespresso/parsers/__init__.py b/src/ase_quantumespresso/parsers/__init__.py
index 46a0fd4..c2ba194 100644
--- a/src/ase_quantumespresso/parsers/__init__.py
+++ b/src/ase_quantumespresso/parsers/__init__.py
@@ -1,5 +1,6 @@
 from .pw import PwParser
 from .dos import DosParser
 from .projwfc import ProjwfcParser
+from .ld1 import Ld1Parser
 
-__all__ = [PwParser, DosParser, ProjwfcParser]
+__all__ = [PwParser, DosParser, ProjwfcParser, Ld1Parser]
diff --git a/src/ase_quantumespresso/parsers/dos.py b/src/ase_quantumespresso/parsers/dos.py
index a2c1f23..e14117e 100644
--- a/src/ase_quantumespresso/parsers/dos.py
+++ b/src/ase_quantumespresso/parsers/dos.py
@@ -4,7 +4,6 @@
 Modified from aiida-quantumespresso.parsers.dos.DosParser.
 """
 
-# from aiida_quantumespresso.calculations.pw import PwCalculation
 from aiida_quantumespresso.utils.mapping import get_logging_container
 from .exit_code import DosExitCodes
 from .base import BaseParser
diff --git a/src/ase_quantumespresso/parsers/exit_code.py b/src/ase_quantumespresso/parsers/exit_code.py
index 82f7e95..46fe290 100644
--- a/src/ase_quantumespresso/parsers/exit_code.py
+++ b/src/ase_quantumespresso/parsers/exit_code.py
@@ -120,7 +120,7 @@ class PwExitCodes:
 
 
 @dataclass(frozen=True)
-class NamelistsCalculation:
+class NamelistsExitCodes:
     ERROR_OUTPUT_STDOUT_MISSING: ExitCode = ExitCode(
         302, "The folder did not contain the required stdout output file."
     )
@@ -139,14 +139,14 @@ class NamelistsCalculation:
 
 
 @dataclass(frozen=True)
-class DosExitCodes(NamelistsCalculation):
+class DosExitCodes(NamelistsExitCodes):
     ERROR_OUTPUT_STDOUT_MISSING: ExitCode = ExitCode(
         302, "The folder did not contain the required stdout output file."
     )
 
 
 @dataclass(frozen=True)
-class ProjwfcExitCodes(NamelistsCalculation):
+class ProjwfcExitCodes(NamelistsExitCodes):
     ERROR_NO_RETRIEVED_TEMPORARY_FOLDER: ExitCode = ExitCode(
         301, "The retrieved temporary folder could not be accessed."
     )
diff --git a/src/ase_quantumespresso/parsers/ld1.py b/src/ase_quantumespresso/parsers/ld1.py
new file mode 100644
index 0000000..2b69832
--- /dev/null
+++ b/src/ase_quantumespresso/parsers/ld1.py
@@ -0,0 +1,80 @@
+# -*- coding: utf-8 -*-
+"""`Parser` implementation for the `ld1.x` code of Quantum ESPRESSO.
+
+"""
+
+from aiida_quantumespresso.utils.mapping import get_logging_container
+from .exit_code import NamelistsExitCodes
+from .base import BaseParser
+import re
+
+
+class Ld1Parser(BaseParser):
+    """`Parser` implementation for the `dos.x` calculation, modified from aiida-quantumespresso."""
+
+    success_string = "End of pseudopotential test"
+
+    def __init__(self, directory, outputname):
+        """Initialize the instance of `PwParser`."""
+        super().__init__(directory, output_filename=outputname)
+        self.outputname = outputname
+        self.exit_codes = NamelistsExitCodes()
+
+    def parse(self, **kwargs):
+        """Parse the retrieved files of a ``DosCalculation`` into output nodes."""
+
+        logs = get_logging_container()
+
+        _, parsed_stdout, logs = self.parse_stdout_from_retrieved(logs)
+
+        base_exit_code = self.check_base_errors(logs)
+        if base_exit_code:
+            return self.exit(base_exit_code, logs)
+
+        self.out("output_parameters", parsed_stdout)
+
+        if "ERROR_OUTPUT_STDOUT_INCOMPLETE" in logs.error:
+            return self.exit(self.exit_codes.ERROR_OUTPUT_STDOUT_INCOMPLETE, logs)
+
+        # Parse the Energy
+        filepath_dos = self.directory / self.outputname
+        try:
+            with open(filepath_dos, "r") as handle:
+                text = handle.read()
+                energy_data = parse_energy_totals(text)
+                self.out("ld1", energy_data)
+        except OSError:
+            return self.exit(self.exit_codes.ERROR_READING_DOS_FILE, logs)
+
+        return self.exit(logs=logs)
+
+
+def parse_energy_totals(text):
+    # Pattern to find Etot and Etotps lines and capture relevant parts
+    etot_pattern = r"Etot\s+=\s+([-\d\.]+)\s+Ry,\s+([-\d\.]+)\s+Ha,\s+([-\d\.]+)\s+eV"
+    etotps_pattern = (
+        r"Etotps\s+=\s+([-\d\.]+)\s+Ry,\s+([-\d\.]+)\s+Ha,\s+([-\d\.]+)\s+eV"
+    )
+
+    # Search for patterns and extract values
+    etot_match = re.search(etot_pattern, text)
+    etotps_match = re.search(etotps_pattern, text)
+
+    # Structured data
+    energy_data = {}
+
+    if etot_match:
+        energy_data["Etot"] = {
+            "Ry": float(etot_match.group(1)),
+            "Ha": float(etot_match.group(2)),
+            "eV": float(etot_match.group(3)),
+        }
+
+    if etotps_match:
+        energy_data["Etotps"] = {
+            "Ry": float(etotps_match.group(1)),
+            "Ha": float(etotps_match.group(2)),
+            "eV": float(etotps_match.group(3)),
+        }
+
+    return energy_data
diff --git a/src/ase_quantumespresso/parsers/projwfc.py b/src/ase_quantumespresso/parsers/projwfc.py
index f0222de..215175c 100644
--- a/src/ase_quantumespresso/parsers/projwfc.py
+++ b/src/ase_quantumespresso/parsers/projwfc.py
@@ -122,7 +122,6 @@ def parse(self, **kwargs):
         Dos_out["y"] = {"arrays": dos, "labels": "Dos", "units": "states/eV"}
         self.out("dos", Dos_out)
 
-        print("results: ", self.results.keys())
         return self.exit(logs=logs)
 
     def _parse_xml(self, retrieved_temporary_folder):
diff --git a/src/ase_quantumespresso/projwfc.py b/src/ase_quantumespresso/projwfc.py
index 325c3ef..836b190 100644
--- a/src/ase_quantumespresso/projwfc.py
+++ b/src/ase_quantumespresso/projwfc.py
@@ -20,5 +20,4 @@ def read_results(self, directory):
         exit_code = parser.parse()
         results = parser.results
         results["exit_code"] = exit_code
-        print("results: ", results.keys())
         return results
diff --git a/tests/test_ld1.py b/tests/test_ld1.py
new file mode 100644
index 0000000..6c7610a
--- /dev/null
+++ b/tests/test_ld1.py
@@ -0,0 +1,50 @@
+from ase_quantumespresso.espresso import Espresso, EspressoProfile
+from ase_quantumespresso.ld1 import Ld1Template
+
+input_data = {
+    "input": {
+        "title": "Pt",
+        "zed": 78.0,
+        "rel": 1,
+        "config": "[Xe] 4f13 6s1 6p0 5d9",
+        "iswitch": 3,
+        "dft": "PBE",
+    },
+    "inputp": {
+        "lpaw": True,
+        "use_xsd": False,
+        "pseudotype": 3,
+        "file_pseudopw": "Pt.star4f.pbe-n-kjpaw_psl.1.0.0.UPF",
+        "author": "Test",
+        "lloc": -1,
+        "rcloc": 2.4,
+        "which_augfun": "PSQ",
+        "rmatch_augfun_nc": True,
+        "nlcc": True,
+        "new_core_ps": True,
+        "rcore": 1.8,
+        "tm": True,
+    },
+}
+pseudo_potential_test_cards = """
+6
+6S  1  0  1.00  0.00  2.00  2.20  0.0
+6S  1  0  0.00  4.40  2.00  2.20  0.0
+6P  2  1  0.00  0.00  2.30  2.50  0.0
+6P  2  1  0.00  6.40  2.30  2.50  0.0
+5D  3  2  9.00  0.00  1.00  2.20  0.0
+5D  3  2  0.00  0.80  1.00  2.20  0.0
+"""
+
+
+def test_base_ld1():
+    profile = EspressoProfile(command="ld1.x", pseudo_dir=".")
+    calc = Espresso(
+        directory="calculatioin",
+        profile=profile,
+        template=Ld1Template(),
+        input_data=input_data,
+        pseudo_potential_test_cards=pseudo_potential_test_cards,
+    )
+    calc.get_property("ld1")
+    assert calc.results["exit_code"].status == 0
diff --git a/tests/test_pw.py b/tests/test_pw.py
index edda039..a17f2a9 100644
--- a/tests/test_pw.py
+++ b/tests/test_pw.py
@@ -4,7 +4,7 @@
 def test_pw(bulk_si, pseudopotentials, pseudo_dir, pw_input_data):
     profile = EspressoProfile(command="pw.x", pseudo_dir=pseudo_dir)
     calc = Espresso(
-        directory="test",
+        directory="calculatioin",
         profile=profile,
         pseudopotentials=pseudopotentials,
         input_data=pw_input_data,