diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index e34beb9..38882ba 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -15,7 +15,7 @@ jobs:
     strategy:
       matrix:
         os: [ubuntu-latest, macos-latest, windows-latest]
-        python-version: ['3.7', '3.8', '3.9', '3.10']
+        python-version: ['3.7', '3.8', '3.9', '3.10', '3.11']
     steps:
       - uses: actions/checkout@v2
       - name: Set up Python
@@ -29,6 +29,7 @@ jobs:
           python -m pip install --upgrade pip
           pip install -r requirements-dev.txt
       - name: Lint with flake8
+        if: ${{ matrix.python-version != '3.7' }}
         run: |
           flake8 qeschema --max-line-length=100 --statistics
       - name: Run tests
diff --git a/README.rst b/README.rst
index 755c778..d8541e1 100644
--- a/README.rst
+++ b/README.rst
@@ -60,10 +60,10 @@ Loaded data can be decoded to Python data dictionary or written to JSON or YAML
 
 Authors
 -------
-Davide Brunato
-Pietro Delugas
-Giovanni Borghi
-Alexandr Fonari
+* Davide Brunato
+* Pietro Delugas
+* Giovanni Borghi
+* Alexandr Fonari
 
 
 License
diff --git a/docs/conf.py b/docs/conf.py
index 1084625..ea48291 100644
--- a/docs/conf.py
+++ b/docs/conf.py
@@ -18,11 +18,11 @@
 # -- Project information -----------------------------------------------------
 
 project = 'qeschema'
-copyright = '2015-2022, Quantum Espresso Foundation and SISSA'
+copyright = '2015-2023, Quantum Espresso Foundation and SISSA'
 author = 'Davide Brunato, Pietro Delugas'
 
 # The full version, including alpha/beta/rc tags
-release = '1.4.0'
+release = '1.5.0'
 
 
 # -- General configuration ---------------------------------------------------
diff --git a/qeschema/__init__.py b/qeschema/__init__.py
index 60707c1..5110e2f 100644
--- a/qeschema/__init__.py
+++ b/qeschema/__init__.py
@@ -8,18 +8,20 @@
 # Authors: Davide Brunato
 #
 from .documents import XmlDocument, QeDocument, PwDocument, PhononDocument, \
-    NebDocument, TdDocument, TdSpectrumDocument, XSpectraDocument
-from .converters import RawInputConverter, PwInputConverter, PhononInputConverter, \
-    NebInputConverter, TdInputConverter, TdSpectrumInputConverter, XSpectraInputConverter
+    NebDocument, TdDocument, TdSpectrumDocument, XSpectraDocument, EPWDocument
+from .converters import RawInputConverter, PwInputConverter, \
+    PhononInputConverter, NebInputConverter, TdInputConverter, \
+    TdSpectrumInputConverter, XSpectraInputConverter, EPWInputConverter
 from .exceptions import QESchemaError, XmlDocumentError
 from .utils import set_logger
 
-__version__ = '1.4.0'
+__version__ = '1.5.0'
 
 __all__ = [
     'XmlDocument', 'QeDocument', 'PwDocument', 'PhononDocument', 'NebDocument',
-    'TdDocument', 'TdSpectrumDocument', 'RawInputConverter', 'PwInputConverter',
-    'PhononInputConverter', 'TdInputConverter', 'TdSpectrumInputConverter',
-    'NebInputConverter', 'QESchemaError', 'XmlDocumentError', 'set_logger', 'hdf5',
-    'XSpectraDocument', 'XSpectraInputConverter'
+    'TdDocument', 'TdSpectrumDocument', 'EPWDocument', 'RawInputConverter',
+    'PwInputConverter', 'PhononInputConverter', 'TdInputConverter',
+    'TdSpectrumInputConverter', 'NebInputConverter', 'QESchemaError',
+    'XmlDocumentError', 'set_logger', 'hdf5', 'XSpectraDocument',
+    'XSpectraInputConverter', 'EPWInputConverter'
 ]
diff --git a/qeschema/cards.py b/qeschema/cards.py
index 4b6fda2..53b6560 100644
--- a/qeschema/cards.py
+++ b/qeschema/cards.py
@@ -11,7 +11,6 @@
 Conversion functions for Quantum Espresso cards.
 """
 import logging
-from typing import Union, List
 
 logger = logging.getLogger('qeschema')
 
@@ -130,24 +129,19 @@ def get_atomic_constraints_card(name, **kwargs):
     :return: List of strings
     """
     try:
-        num_of_constraints = kwargs['num_of_constraints']
-        tolerance = kwargs['tolerance']
-        atomic_constraints = kwargs['atomic_constraints']
+        num_of_constraints = kwargs['atomic_constraints']['num_of_constraints']
+        tolerance = kwargs['atomic_constraints']['tolerance']
+        atomic_constraints = kwargs['atomic_constraints']['atomic_constraint']
     except KeyError:
         logger.error("Missing required arguments when building CONSTRAINTS card!")
         return []
 
-    lines = [name, '{0} {1}'.format(num_of_constraints, tolerance)]
+    lines = [name, f"{num_of_constraints} {tolerance}"]
     for constraint in atomic_constraints:
-        constr_parms = constraint['constr_parms']  # list with 4 float items
-        constr_parms.extend([0] * max(0, 4 - len(constr_parms)))
+        constr_parms = constraint['constr_parms']  # list with at most 4 float items
         constr_type = constraint['constr_type']  # string
-        constr_target = constraint['constr_target']  # float
-        lines.append('{0} {1} {2}'.format(
-            constr_type,
-            ' '.join([str(item) for item in constr_parms]),
-            constr_target
-        ))
+        constr_target = constraint.get('constr_target', "")  # float or empty
+        lines.append(f"{constr_type} {' '.join([str(_) for _ in constr_parms])} {constr_target}")
     return lines
 
 
@@ -195,6 +189,77 @@ def get_k_points_card(name, **kwargs):
     return lines
 
 
+def get_hubbard_card(name, **kwargs):
+    """
+    writes the hubbard card for new format
+    """
+    try:
+        new_format = kwargs['dftU']['@new_format']
+    except KeyError:
+        new_format = False
+    if not new_format:
+        return []
+    try:
+        dftu = kwargs['dftU']
+    except KeyError as err:
+        logger.error("Missing required argument %s when building "
+                     "parameter %r", str(err), name)
+        return []
+
+    projtype = kwargs.get('U_projection_type', 'atomic')
+    lines = [f"{name} {projtype}"]
+    for tag in iter(['U', 'J0', 'alpha', 'beta']):
+        lines.extend(_hubbard_lines(dftu, tag))
+    for tag in iter(['J', 'U2', 'V']):
+        lines.extend(_hubbard_special_lines(dftu, tag))
+    return lines
+
+
+def _hubbard_lines(dftu, tag):
+    related_data = dftu.get(f"Hubbard_{tag}", [])
+    lines = []
+    for value in iter(related_data if isinstance(related_data, list) else [related_data]):
+        specie = value['@specie']
+        label = value['@label']
+        if label != 'no Hubbard':
+            lines.append(f"{tag}  {specie}-{label}  {value['$']:8.3f}")
+    return lines
+
+
+def _hubbard_special_lines(dftu, tag):
+    related_data = dftu.get(f"Hubbard_{tag}", [])
+    llabels = ['s', 'p', 'd', 'f']
+    lines = []
+    for value in iter(related_data if isinstance(related_data, list) else [related_data]):
+        specie = value['@specie']
+        label = value.get('@label', 'not found')
+        if label != 'no Hubbard':
+            if tag == 'J':
+                lines.append(f"J {specie}-{label} {value['$'][0]:8.3f}")
+                if 'd' in label:
+                    lines.append(f"B {specie}-{label} {value['$'][1]:8.3f}")
+                elif 'f' in label:
+                    lines.extend([f"E2 {specie}-{label} {value['$'][1]:8.3f}",
+                                  f"E3 {specie}-{label} {value['$'][2]:8.3f}"])
+            elif tag == 'U2':
+                background = value['@background']
+                if label == 'not found':
+                    def labnl(nnum, lnum):
+                        return f"{nnum}{llabels[lnum-1]}"
+
+                    label = labnl(value['n2_number'], value['l2_number'])
+                    if 'two' in background:
+                        label = f"{label}-{labnl(value['n3_number'],value['l3_number'])}"
+                    lines.append(f"U {specie}-{label}  {value['$']:8.3f}")
+            elif tag == 'V':
+                speclab1 = f"{value['@specie1']}-{value['@label1']}"
+                speclab2 = f"{value['@specie2']}-{value['@label2']}"
+                index1 = value['@index1']
+                index2 = value['@index2']
+                lines.append(f"{tag} {speclab1} {speclab2} {index1} {index2} {value['$']:8.3f}")
+    return lines
+
+
 def get_atomic_forces_card(name, **kwargs):
     """
     Convert XML data to ATOMIC_FORCES card
diff --git a/qeschema/converters.py b/qeschema/converters.py
index 26294f7..daef2b8 100644
--- a/qeschema/converters.py
+++ b/qeschema/converters.py
@@ -23,7 +23,7 @@
 
 FCP_NAMELIST = 'FCP'
 PH_NAT_TODO_CARD = 'ph_nat_todo_card'
-OPTIONAL_CARDS = {PH_NAT_TODO_CARD}
+OPTIONAL_CARDS = {PH_NAT_TODO_CARD, "CONSTRAINTS", "HUBBARD", "SOLVENTS"}
 
 
 def conversion_maps_builder(template_map):
@@ -363,27 +363,42 @@ class PwInputConverter(RawInputConverter):
                 'ecutvcut': ('SYSTEM[ecutvcut]', options.ha2ry, None)
             },
             'dftU': {
-                'lda_plus_u_kind': 'SYSTEM[lda_plus_u_kind]',
+                '@new_format': [('HUBBARD', cards.get_hubbard_card, None),
+                                ('SYSTEM[lda_plus_u_kind]', options.set_lda_plus_u_kind, None),
+                                ('SYSTEM[lda_plus_u]', options.set_lda_plus_u_flag, None),
+                                ('SYSTEM[Hubbard_U]', options.get_specie_related_values, None),
+                                ('SYSTEM[Hubbard_J]', options.get_specie_related_values, None),
+                                ('SYSTEM[Hubbard_J0]', options.get_specie_related_values, None),
+                                ('SYSTEM[Hubbard_alpha]', options.get_specie_related_values, None),
+                                ('SYSTEM[Hubbard_beta]', options.get_specie_related_values, None),
+                                ('SYSTEM[U_projection_type]', options.set_u_projection_type, None)],
+                'lda_plus_u_kind': ('SYSTEM[lda_plus_u_kind]', options.set_lda_plus_u_kind, None),
                 'Hubbard_U': {
                     '$': [('SYSTEM[Hubbard_U]', options.get_specie_related_values, None),
+                          ('HUBBARD', cards.get_hubbard_card, None),
                           ('SYSTEM[lda_plus_u]', options.set_lda_plus_u_flag, None)]
                 },
                 'Hubbard_J0': {
-                    '$': ('SYSTEM[Hubbard_J0]', options.get_specie_related_values, None),
+                    '$': [('SYSTEM[Hubbard_J0]', options.get_specie_related_values, None),
+                          ('HUBBARD', cards.get_hubbard_card, None)]
                 },
                 'Hubbard_alpha': {
-                    '$': ('SYSTEM[Hubbard_alpha]', options.get_specie_related_values, None),
+                    '$': [('SYSTEM[Hubbard_alpha]', options.get_specie_related_values, None),
+                          ('HUBBARD', cards.get_hubbard_card, None)]
                 },
                 'Hubbard_beta': {
-                    '$': ('SYSTEM[Hubbard_beta]', options.get_specie_related_values, None),
+                    '$': [('SYSTEM[Hubbard_beta]', options.get_specie_related_values, None),
+                          ('HUBBARD', cards.get_hubbard_card, None)]
                 },
                 'Hubbard_J': {
-                    '$': ('SYSTEM[Hubbard_J]', options.get_specie_related_values, None),
+                    '$': [('SYSTEM[Hubbard_J]', options.get_specie_related_values, None),
+                          ('HUBBARD', cards.get_hubbard_card, None)]
                 },
                 'starting_ns': {
                     '$': ('SYSTEM[starting_ns_eigenvalue]', options.get_specie_related_values, None)
                 },
-                'U_projection_type': 'SYSTEM[U_projection_type]',
+                'U_projection_type': ('SYSTEM[U_projection_type]',
+                                      options.set_u_projection_type, None)
             },
             'vdW': {
                 'vdw_corr': 'SYSTEM[vdw_corr]',
@@ -561,7 +576,7 @@ def __init__(self, **kwargs):
             input_namelists=('CONTROL', 'SYSTEM', 'ELECTRONS', 'IONS', 'CELL',
                              FCP_NAMELIST),
             input_cards=('ATOMIC_SPECIES', 'ATOMIC_POSITIONS', 'K_POINTS',
-                         'CELL_PARAMETERS', 'ATOMIC_FORCES')
+                         'CELL_PARAMETERS', 'ATOMIC_FORCES', 'CONSTRAINTS', 'SOLVENTS', 'HUBBARD')
         )
         if 'xml_file' in kwargs:
             self._input['CONTROL']['input_xml_schema_file'] = "{!r}".format(
@@ -578,7 +593,7 @@ class PhononInputConverter(RawInputConverter):
     """
     PHONON_TEMPLATE_MAP = {
         'xq': {
-         '$': ('qPointsSpecs', cards.get_qpoints_card, None),
+            '$': ('qPointsSpecs', cards.get_qpoints_card, None),
         },
         'scf_ph': {
             'tr2_ph': "INPUTPH[tr2_ph]",
@@ -741,7 +756,7 @@ def __init__(self, **_kwargs):
             *conversion_maps_builder(self.NEB_TEMPLATE_MAP),
             input_namelists=('PATH', 'CONTROL', 'SYSTEM', 'ELECTRONS', 'IONS', 'CELL'),
             input_cards=('CLIMBING_IMAGES', 'ATOMIC_SPECIES', 'ATOMIC_POSITIONS', 'K_POINTS',
-                         'CELL_PARAMETERS', 'ATOMIC_FORCES')
+                         'CELL_PARAMETERS', 'ATOMIC_FORCES', 'CONSTRAINTS')
         )
 
     def get_qe_input(self):
@@ -851,9 +866,7 @@ def get_qe_input(self):
         Overrides superclass get_qe_input with use_defaults set to False.
         :return: the input as obtained from its input builder
         """
-        temp = super(TdInputConverter, self).get_qe_input().split('\n')
-        for i, j in enumerate(temp):
-            print(i, " - ", j)
+        temp = super().get_qe_input().split('\n')
         td = temp[1]
         start = temp.index('&lr_input')
         end = start + temp[start:].index('/')
@@ -985,3 +998,107 @@ def __init__(self, **_kwargs):
             input_namelists=('input_xspectra', 'plot', 'pseudos', 'cut_occ'),
             input_cards=("K_POINTS",)
         )
+
+
+class EPWInputConverter(RawInputConverter):
+    """
+    converts the XML input file for EPW to the namelist format
+    expected by epw.x
+    """
+    EPW_TEMPLATE_MAP = {
+        'control_variables': {
+            'prefix': "inputepw[prefix]",
+            'outdir': "inputepw[outdir]",
+            'iverbosity': "inputepw[iverbosity]",
+            'dvscf_dir': "inputepw[dvscf_dir]",
+            'filukk': "inputepw[filukk]",
+            'elph': "inputepw[elph]",
+            'ep_coupling': "inputepw[ep_coupling]",
+            'elecselfen': "inputepw[elecselfen]",
+            'phonselfen': "inputepw[phonselfen]",
+            'lindabs': "inputepw[lindabs]",
+            'band_plot': "inputepw[band_plot]",
+            'fermi_plot': "inputepw[fermi_plot]",
+            'cumulant': "inputepw[cumulant]",
+            'prtgkk':  "inputepw[prtgkk]",
+            'epbread': "inputepw[epbread]",
+            'epbwrite': "inputepw[epbwrite]",
+            'epwread': "inputepw[epwread]",
+            'epwwrite': "inputepw[epwwrite]",
+            'ephwrite': "inputepw[ephwrite]",
+            'eig_read': "inputepw[eig_read]",
+            'delta_approx': "inputepw[delta_approx]",
+            'eps_acustic': "inputepw[eps_acustic]",
+            'etf_mem': "inputepw[etcmem]",
+            'nbndsub': "inputepw[nbndsub]",
+            'nq1': "inputepw[nq1]",
+            'nq2': "inputepw[nq2]",
+            'nq3': "inputepw[nq3]",
+            'nk1': "inputepw[nk1]",
+            'nk2': "inputepw[nk2]",
+            'nk3': "inputepw[nk3]",
+            'nqf1': "inputepw[nqf1]",
+            'nqf2': "inputepw[nqf2]",
+            'nqf3': "inputepw[nqf3]",
+            'nkf1': "inputepw[nkf1]",
+            'nkf2': "inputepw[nkf2]",
+            'nkf3': "inputepw[nkf3]",
+            'mp_mesh_k': "inputepw[mp_mesh_k]",
+            'filqf': "inputepw[filqf]",
+            'filkf': "inputepw[filkf]",
+            'vme': "inputepw[vme]",
+            'degaussw': "inputepw[degaussw]",
+            'degaussq': "inputepw[degaussq]",
+            'fsthick': "inputepw[fsthick]",
+            'ngaussw': "inputepw[ngaussw]",
+            'nsmear': "inputepw[nsmear]",
+            'delta_smear': "inputepw[delta_smear]",
+            'restart': "inputepw[restart]",
+            'restart_step': "inputepw[restart_step]",
+            'scissor': "inputepw[scissor]",
+            'lphase': "inputepw[lphase]",
+            'lpolar': "inputepw[lpolar]",
+            'efermi_read': "inputepw[efermi_read]",
+            'fermi_energy': "inputepw[fermi_energy]",
+            'lscreen': "inputepw[lscreen]",
+            'scr_typ': "inputepw[scr_typ]",
+            'fermi_diff': "inputepw[fermi_diff]",
+            'smear_rpa': "inputepw[smear_rpa]",
+            'lifc': "inputepw[lifc]",
+            'asr_typ': "inputepw[asr_typ]",
+            'wannierize': "inputepw[wannierize]",
+            'amass': {'$': ("inputepw[amass]", options.set_one_amass_line, None)}
+            },
+        'wannier90': {
+            'num_iter': "inputepw[num_iter]",
+            'dis_win_max': "inputepw[dis_win_max]",
+            'dis_win_min': "inputepw[dis_win_min]",
+            'dis_froz_min': "inputepw[dis_froz_min]",
+            'dis_froz_max': "inputepw[dis_frox_max]",
+            'proj': {'$': ("inputepw[proj]", options.set_one_proj_line, None)},
+            'bands_skipped': "inputepw[bands_skipped]",
+            'iprint': "inputepw[iprint]",
+            'wannier_plot': ["inputepw[wannier_plot]",
+                             ("inputepw[wdata]", options.set_wdata_lines, None)
+                             ],
+            'wannier_plot_supercell': "inputepw[wannier_plot_supercell]",
+            'wannier_plot_scale': "inputepw[wannier_plot_scale]",
+            'wannier_plot_radius': "inputepw[wannier_plot_radius]",
+            'wannier_plot_list': {'@segment': ("inputepw[wdata]",
+                                               options.set_wdata_lines, None)},
+            'wannier_plot_format': ('inputepw[wdata]',
+                                    options.set_wdata_lines, None),
+            'use_ws': ("inputepw[wdata]", options.set_wdata_lines, None),
+            'reduce_unk': "inputepw[reduce_unk]",
+            'scdm_proj': "inputepw[scdm_proj]",
+            'scdm_sigma': "inputepw[scdm_sigma]",
+            'auto_projections': "inputepw[auto_projections]",
+            'scdm_entanglement': "inputepw[scdm_entaglement]",
+            'scdm_mu': "inputepw[scdm_mu]",
+        }
+    }
+
+    def __init__(self, **kwargs):
+        super().__init__(*conversion_maps_builder(self.EPW_TEMPLATE_MAP),
+                         input_namelists=['inputepw'],
+                         input_cards=[])
diff --git a/qeschema/documents.py b/qeschema/documents.py
index 2f9c8cb..281b599 100644
--- a/qeschema/documents.py
+++ b/qeschema/documents.py
@@ -14,7 +14,8 @@
 from functools import wraps
 from xml.etree import ElementTree
 import xmlschema
-from xmlschema.etree import etree_tostring
+from xmlschema import etree_tostring
+
 
 try:
     import yaml
@@ -24,7 +25,7 @@
 from .namespaces import XSD_NAMESPACE
 from .converters import RawInputConverter, PwInputConverter, PhononInputConverter, \
     NebInputConverter, TdInputConverter, TdSpectrumInputConverter, \
-    XSpectraInputConverter
+    XSpectraInputConverter, EPWInputConverter
 from .exceptions import XmlDocumentError
 from .utils import etree_iter_path
 
@@ -447,7 +448,8 @@ def __init__(self, source=None, schema=None, input_builder=None):
             self.input_builder = input_builder
 
         self.default_namespace = self.schema.target_namespace
-        qe_prefixes = ['qes', 'neb', 'qes_ph', 'qes_lr', 'qes_spectrum', 'qes_xspectra']
+        qe_prefixes = ['qes', 'neb', 'qes_ph', 'qes_lr', 'qes_spectrum',
+                       'qes_xspectra', 'epw']
         qe_nslist = list(map(self.schema.namespaces.get, qe_prefixes))
         if self.default_namespace not in qe_nslist:
             raise NotImplementedError(
@@ -713,3 +715,27 @@ class XSpectraDocument(QeDocument):
     @property
     def input_path(self):
         return 'input'
+
+
+class EPWDocument(QeDocument):
+    """
+    class to manage EPW XML documents
+    """
+    DEFAULT_SCHEMA = 'epw.xsd'
+    DEFAULT_INPUT_BUILDER = EPWInputConverter
+
+    @property
+    def input_path(self):
+        return 'input'
+
+    def get_fortran_input(self, use_defaults=False):
+        """overrides get_fortran_input adding title-line on top and
+           and setting *use_defaults* optional argument to false
+        """
+        path = './input/control_variables/title'
+        element = self.find(path)
+        if element is not None:
+            title = str(element.text)
+        else:
+            title = "---"
+        return "\n".join([title, super().get_fortran_input(use_defaults)])
diff --git a/qeschema/options.py b/qeschema/options.py
index 35b0393..e3227b9 100644
--- a/qeschema/options.py
+++ b/qeschema/options.py
@@ -33,6 +33,14 @@ def get_specie_related_values(name, **kwargs):
     """
     related_tag = kwargs['_related_tag']
     related_data = kwargs[related_tag]
+    try:
+        new_format = kwargs['dftU']['@new_format']
+    except KeyError:
+        new_format = False
+
+    if new_format and related_tag in ['Hubbard_U', 'Hubbard_J', 'Hubbard_alpha',
+                                      'Hubbard_beta', 'Hubbard_J0']:
+        return []
     try:
         atomic_species = kwargs['atomic_species']
         species = atomic_species['species']
@@ -276,7 +284,58 @@ def set_one_amass_line(name, **kwargs):
     return lines
 
 
+def set_one_proj_line(name, **kwargs):
+    """
+    writes projlines for epw input
+    """
+    lines = []
+    try:
+        node = kwargs['proj']
+        value = str(node['$'])
+        index = node['@atom']
+        lines.append(f" {name}({index})='{value}'")
+    except TypeError:
+        for node in kwargs['proj']:
+            value = str(node['$'])
+            index = node['@atom']
+            lines.append(f" {name}({index})='{value}'")
+    return lines
+
+
+def set_wdata_lines(name, **kwargs):
+    """
+    writes wdata strings for epw input
+    """
+    res = []
+    if kwargs.get('wannier_plot', False):
+        res = [" wdata(1) = 'bands_plot = .true.'",
+               " wdata(2) = 'begin kpoint_path'"]
+        iline = 2
+        points = kwargs['wannier_plot_list']
+        points.sort(key=lambda s: s['@segment'])
+        for ppt in points:
+            iline += 1
+            res.append(f" wdata({iline}) = '{ppt['$'].strip()}'")
+        iline += 1
+        res.append(f" wdata({iline}) = 'end kpoint_path'")
+        if kwargs.get('wannier_plot_format', None):
+            iline += 1
+            plot_format = kwargs['wannier_plot_format'].strip()
+            res.append(f" wdata{iline} = 'bands_plot_format = {plot_format}'")
+        use_ws_distance = "T" if kwargs.get('use_ws', False) else "F"
+        iline += 1
+        res.append(f" wdata({iline}) = 'use_ws_distance = {use_ws_distance}'")
+    return res
+
+
 def set_lda_plus_u_flag(name, **kwargs):
+    """
+    writes SYSTEM[set_lda_plus_u_flag] for old format
+    """
+    dftu = kwargs.get('dftU', None)
+    if dftu:
+        if dftu.get('@new_format'):
+            return []
     assert isinstance(name, str)
     lines = []
     related_tag = kwargs['_related_tag']
@@ -289,6 +348,38 @@ def set_lda_plus_u_flag(name, **kwargs):
     return lines
 
 
+def set_lda_plus_u_kind(name, **kwargs):
+    """
+    writes SYSTEM[lda_plus_u_kind] flag for old format
+    """
+    dftu = kwargs.get('dftU', None)
+    if dftu:
+        if dftu.get('@new_format', False):
+            return []
+    #
+    assert isinstance(name, str)
+    lines = []
+    if kwargs.get('lda_plus_u_kind', None) is not None:
+        lines.append(f" lda_plus_u_kind = {kwargs['lda_plus_u_kind']}")
+    return lines
+
+
+def set_u_projection_type(name, **kwargs):
+    """
+    writes U_projection_type for old Hubbard format
+    """
+    assert isinstance(name, str)
+    dftu = kwargs.get('dftU', None)
+    if dftu:
+        if dftu.get('@new_format', False):
+            return []
+    lines = []
+    related_tag = kwargs['_related_tag']
+    related_data = kwargs[related_tag]
+    lines.append(f" {related_tag} = '{related_data}'")
+    return lines
+
+
 def set_boolean_flag(name, **kwargs):
     assert isinstance(name, str)
     lines = []
diff --git a/qeschema/schemas/epw.xsd b/qeschema/schemas/epw.xsd
new file mode 100644
index 0000000..76ee661
--- /dev/null
+++ b/qeschema/schemas/epw.xsd
@@ -0,0 +1,180 @@
+<?xml version="1.0"?>
+<!--
+Copyright (C) 2010-2016 Samuel Ponce', Roxana Margine, Carla Verdi, Feliciano Giustino
+Copyright (C) 2007-2009 Jesse Noffsinger, Brad Malone, Feliciano Giustino
+This file is distributed under the terms of the GNU General Public
+License. See the file `LICENSE' in the root directory of the
+present distribution, or http://www.gnu.org/copyleft.gpl.txt .
+Author: Hyungjun Lee
+datecode 230320
+-->
+<schema xmlns="http://www.w3.org/2001/XMLSchema"
+	xmlns:epw="https://epw-code.org/ns/epw-0.1"
+	targetNamespace="https://epw-code.org/ns/epw-0.1"
+        version= "230320">
+  <element name="epw" type="epw:epwType"/>
+  <complexType name="epwType">
+    <sequence>
+      <element type="epw:parallel_infoType" name="parallel_info" minOccurs="0"/>
+      <element type="epw:inputType" name="input"/>
+    </sequence>
+  </complexType>
+  <complexType name="parallel_infoType">
+    <sequence>
+      <element type="positiveInteger" name="nprocs"/>
+      <element type="positiveInteger" name="npool"/>
+    </sequence>
+  </complexType>
+  <complexType name="inputType">
+    <sequence>
+      <element type="epw:control_variablesType" name="control_variables" minOccurs="1"/>
+      <element type="epw:w90Type" name="wannier90" minOccurs="0"/>
+    </sequence>
+  </complexType>
+  <complexType name="control_variablesType">
+    <sequence>
+      <element type="string" name="title" minOccurs="0"/>
+      <element type="string" name="prefix" minOccurs="1"/>
+      <element type="string" name="outdir" minOccurs="1"/>
+      <element type="nonNegativeInteger" name="iverbosity" minOccurs="0"/>
+      <element type="string" name="dvscf_dir" minOccurs="0"/>
+      <element type="string" name="filukk" minOccurs="0"/>
+      <element type="boolean" name="elph" minOccurs="0"/>
+      <element type="boolean" name="ep_coupling" minOccurs="0"/>
+      <element type="boolean" name="elecselfen" minOccurs="0"/>
+      <element type="boolean" name="phonselfen" minOccurs="0"/>
+      <element type="boolean" name="lindabs" minOccurs="0"/>
+      <element type="boolean" name="band_plot" minOccurs="0"/>
+      <element type="boolean" name="fermi_plot" minOccurs="0"/>
+      <element type="boolean" name="cumulant" minOccurs="0"/>
+      <element type="boolean" name="prtgkk" minOccurs="0"/>
+      <element type="boolean" name="epbread" minOccurs="0"/>
+      <element type="boolean" name="epbwrite" minOccurs="0"/>
+      <element type="boolean" name="epwread" minOccurs="0"/>
+      <element type="boolean" name="epwwrite" minOccurs="0"/>
+      <element type="boolean" name="ephwrite" minOccurs="0"/>
+      <element type="boolean" name="eig_read" minOccurs="0"/>
+      <element type="boolean" name="delta_approx" minOccurs="0"/>
+      <element type="double" name="eps_acustic" minOccurs="0"/>
+      <element type="nonNegativeInteger" name="etf_mem" minOccurs="0"/>
+      <element type="positiveInteger" name="nbndsub" minOccurs="0"/>
+      <element type="epw:amassType" name="amass" minOccurs="0" maxOccurs="unbounded" />
+      <element type="positiveInteger" name="nq1" minOccurs="1"/>
+      <element type="positiveInteger" name="nq2" minOccurs="1"/>
+      <element type="positiveInteger" name="nq3" minOccurs="1"/>
+      <element type="positiveInteger" name="nk1" minOccurs="1"/>
+      <element type="positiveInteger" name="nk2" minOccurs="1"/>
+      <element type="positiveInteger" name="nk3" minOccurs="1"/>
+      <element type="positiveInteger" name="nqf1" minOccurs="0"/>
+      <element type="positiveInteger" name="nqf2" minOccurs="0"/>
+      <element type="positiveInteger" name="nqf3" minOccurs="0"/>
+      <element type="positiveInteger" name="nkf1" minOccurs="0"/>
+      <element type="positiveInteger" name="nkf2" minOccurs="0"/>
+      <element type="positiveInteger" name="nkf3" minOccurs="0"/>
+      <element type="boolean" name="mp_mesh_k" minOccurs="1"/>
+      <element type="string" name="filqf" minOccurs="0"/>
+      <element type="string" name="filkf" minOccurs="0"/>
+      <element type="epw:vmeType" name="vme" minOccurs="0"/>
+      <element type="double" name="degaussw" minOccurs="0"/>
+      <element type="double" name="degaussq" minOccurs="0"/>
+      <element type="double" name="fsthick" minOccurs="0"/>
+      <element type="integer" name="ngaussw" minOccurs="0"/>
+      <element type="positiveInteger" name="nsmear" minOccurs="0"/>
+      <element type="double" name="delta_smear" minOccurs="0"/>
+      <element type="boolean" name="restart" minOccurs="0"/>
+      <element type="positiveInteger" name="restart_step" minOccurs="0"/>
+      <element type="double" name="scissor" minOccurs="0"/>
+      <element type="boolean" name="lphase" minOccurs="0"/>
+      <element type="boolean" name="lpolar" minOccurs="0"/>
+      <element type="boolean" name="efermi_read" minOccurs="0"/>
+      <element type="double" name="fermi_energy" minOccurs="0"/>
+      <element type="boolean" name="lscreen" minOccurs="0"/>
+      <element type="nonNegativeInteger" name="scr_typ"  minOccurs="0"/>
+      <element type="double" name="fermi_diff"  minOccurs="0"/>
+      <element type="double" name="smear_rpa"  minOccurs="0"/>
+      <element type="boolean" name="lifc" minOccurs="0"/>
+      <element type="epw:asrType" name="asr_typ" minOccurs="0"/>
+      <element type="boolean" name="wannierize" minOccurs="1"/>
+    </sequence>
+  </complexType>
+  <simpleType name="vmeType">
+    <restriction base="string">
+      <enumeration value="dipole"/>
+      <enumeration value="wannier"/>
+    </restriction>
+  </simpleType>
+  <simpleType name="asrType">
+    <restriction base="string">
+      <enumeration value="simple"/>
+      <enumeration value="crystal"/>
+      <enumeration value="one-dim"/>
+      <enumeration value="zero-dim"/>
+    </restriction>
+  </simpleType>
+  <complexType name="w90Type">
+    <sequence>
+      <element type="nonNegativeInteger" name="num_iter"/>
+      <element type="double" name="dis_win_max"/>
+      <element type="double" name="dis_win_min" minOccurs="0"/>
+      <element type="double" name="dis_froz_min" minOccurs="0"/>
+      <element type="double" name="dis_froz_max"/>
+      <element type="epw:wprojType" name="proj" minOccurs="1" maxOccurs="unbounded"/>
+      <element type="string" name="bands_skipped" minOccurs="0"/>
+      <element type="nonNegativeInteger" name="iprint"/>
+      <element type="boolean" name="wannier_plot"/>
+      <element type="epw:pi3vectorType" name="wannier_plot_supercell" minOccurs="0"/>
+      <element type="double" name="wannier_plot_scale" minOccurs="0"/>
+      <element type="double" name="wannier_plot_radius" minOccurs="0"/>
+      <element type="epw:wannierPlotListType" name="wannier_plot_list" minOccurs="0" maxOccurs="unbounded"/>
+      <element type="boolean" name="use_ws" minOccurs="0"/>
+      <element type="string" name="wannier_plot_format" minOccurs="0"/>
+      <element type="boolean" name="reduce_unk" minOccurs="0"/>
+      <element type="boolean" name="scdm_proj" minOccurs="0"/>
+      <element type="double" name="scdm_sigma" minOccurs="0"/>
+      <element type="boolean" name="auto_projections" minOccurs="0"/>
+      <element type="string" name="scdm_entanglement" minOccurs="0"/>
+      <element type="double" name="scdm_mu" minOccurs="0"/>
+    </sequence>
+  </complexType>
+  <simpleType name="pi3vectorType">
+    <restriction>
+      <simpleType>
+        <list itemType="positiveInteger"/>
+      </simpleType>
+      <length value="3"/>
+    </restriction>
+  </simpleType>
+  <simpleType name="scdmType">
+    <restriction base="string">
+      <enumeration value="isolated"/>
+      <enumeration value="erfc"/>
+      <enumeration value="gaussian"/>
+    </restriction>
+  </simpleType>
+  <!--types importes from qes.xsd 
+    opyright (c), 2015-2016, Quantum Espresso Foundation. All rights reserved.
+This file is distributed under the terms of the MIT License. See the
+file 'LICENSE' in the root directory of the present distribution, or
+http://opensource.org/licenses/MIT.--> 
+  <complexType name="amassType">
+    <simpleContent>
+        <extension base="double">
+            <attribute type="positiveInteger" name="atom"/>
+        </extension>
+      </simpleContent>
+  </complexType>
+  <complexType name="wprojType">
+    <simpleContent>
+      <extension base="string">
+        <attribute type="positiveInteger" name="atom"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="wannierPlotListType">
+    <simpleContent>
+      <extension base="string">
+        <attribute type="positiveInteger" name="segment" use="required"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+</schema>
diff --git a/qeschema/schemas/releases/qes_211101.xsd b/qeschema/schemas/releases/qes_211101.xsd
index 1d3c468..e501a16 100644
--- a/qeschema/schemas/releases/qes_211101.xsd
+++ b/qeschema/schemas/releases/qes_211101.xsd
@@ -488,6 +488,7 @@ datecode 211101
       <element type="qes:basisSetItemType" name="fft_grid" minOccurs="0" />
       <element type="qes:basisSetItemType" name="fft_smooth" minOccurs="0" />
       <element type="qes:basisSetItemType" name="fft_box" minOccurs="0" />
+      <element type="boolean" name="spline_ps" minOccurs="0" maxOccurs="1"/>
     </sequence>
   </complexType>
   <complexType name="basis_setType">
diff --git a/qeschema/schemas/releases/qes_230310.xsd b/qeschema/schemas/releases/qes_230310.xsd
new file mode 100644
index 0000000..dd615fc
--- /dev/null
+++ b/qeschema/schemas/releases/qes_230310.xsd
@@ -0,0 +1,1367 @@
+<?xml version="1.0"?>
+<!--
+Copyright (c), 2015-2016, Quantum Espresso Foundation. All rights reserved.
+This file is distributed under the terms of the MIT License. See the
+file 'LICENSE' in the root directory of the present distribution, or
+http://opensource.org/licenses/MIT.
+Authors: Antonio Zambon, Paolo Giannozzi, Pietro Delugas
+datecode 220603
+-->
+<schema xmlns="http://www.w3.org/2001/XMLSchema"
+	xmlns:qes="http://www.quantum-espresso.org/ns/qes/qes-1.0"
+	targetNamespace="http://www.quantum-espresso.org/ns/qes/qes-1.0"
+        version= "230310">
+  <!-- ESPRESSO (root element) -->
+  <element name="espresso" type="qes:espressoType" />
+  <complexType name="espressoType">
+    <sequence>
+      <element type="qes:general_infoType" name="general_info" minOccurs="0" />
+      <element type="qes:parallel_infoType" name="parallel_info" minOccurs="0" />
+      <element type="qes:inputType" name="input" minOccurs="0"/>
+      <element type="qes:stepType" name="step" minOccurs="0" maxOccurs="unbounded" />
+      <element type="qes:outputType" name="output" minOccurs="0" />
+      <element type="qes:cpstatusType" name="STATUS" minOccurs="0"/>
+      <element type="qes:cptimestepsType" name="TIMESTEPS" minOccurs="0"/>
+      <element type="qes:statusType" name="exit_status"  minOccurs="0" maxOccurs="1"/>
+      <choice minOccurs="1">
+        <element type="nonNegativeInteger" name="cputime" minOccurs="0"/>
+        <element type="qes:timingType" name="timing_info" minOccurs="0"/>
+      </choice>
+      <element type="qes:closedType" name="closed" minOccurs="0" />
+    </sequence>
+    <attribute name="Units" type="string" use="optional"/>
+  </complexType>
+  <!-- GENERAL INFO -->
+  <complexType name="general_infoType">
+    <sequence>
+      <element type="qes:xml_formatType" name="xml_format"/>
+      <element type="qes:creatorType" name="creator"/>
+      <element type="qes:createdType" name="created"/>
+      <element type="string" name="job"/>
+    </sequence>
+  </complexType>
+  <!-- PARALLEL INFO -->
+  <complexType name="parallel_infoType">
+    <sequence>
+      <element type="positiveInteger" name="nprocs"/>
+      <element type="positiveInteger" name="nthreads"/>
+      <element type="positiveInteger" name="ntasks"/>
+      <element type="positiveInteger" name="nbgrp"/>
+      <element type="positiveInteger" name="npool"/>
+      <element type="positiveInteger" name="ndiag"/>
+    </sequence>
+  </complexType>
+  <!-- INPUT TYPE-->
+  <complexType name="inputType">
+    <sequence>
+      <element type="qes:control_variablesType" name="control_variables"/>
+      <element type="qes:atomic_speciesType" name="atomic_species"/>
+      <element type="qes:atomic_structureType" name="atomic_structure"/>
+      <element type="qes:dftType" name="dft"/>
+      <element type="qes:spinType" name="spin"/>
+      <element type="qes:bandsType" name="bands"/>
+      <element type="qes:basisType" name="basis"/>
+      <element type="qes:electron_controlType" name="electron_control"/>
+      <element type="qes:k_points_IBZType" name="k_points_IBZ"/>
+      <element type="qes:ion_controlType" name="ion_control"/>
+      <element type="qes:cell_controlType" name="cell_control"/>
+      <element type="qes:symmetry_flagsType" name="symmetry_flags" minOccurs="0" />
+      <element type="qes:boundary_conditionsType" name="boundary_conditions" minOccurs="0" />
+      <element type="qes:fcpType" name="fcp_settings" minOccurs="0" />
+      <element type="qes:rismType" name="rism_settings" minOccurs="0" />
+      <element type="qes:solventsType" name="solvents" minOccurs="0" maxOccurs="1"/>
+      <element type="qes:ekin_functionalType" name="ekin_functional" minOccurs="0" />
+      <element type="qes:matrixType" name="external_atomic_forces" minOccurs="0" />
+      <element type="qes:integerMatrixType" name="free_positions" minOccurs="0" />
+      <element type="qes:matrixType" name="starting_atomic_velocities" minOccurs="0" />
+      <element type="qes:electric_fieldType" name="electric_field" minOccurs="0" />
+      <element type="qes:atomic_constraintsType" name="atomic_constraints" minOccurs="0" />
+      <element type="qes:spin_constraintsType" name="spin_constraints" minOccurs="0" />
+    </sequence>
+  </complexType>
+  <!-- STEP TYPE -->
+  <complexType name="stepType">
+    <sequence>
+      <element type="qes:scf_convType" name="scf_conv"/>
+      <element type="qes:atomic_structureType" name="atomic_structure"/>
+      <element type="qes:total_energyType" name="total_energy"/>
+      <element type="qes:matrixType" name="forces"/>
+      <element type="qes:matrixType" name="stress" minOccurs="0" />
+      <element type="double"         name="fcp_force" minOccurs="0"/>
+      <element type="double"         name="fcp_tot_charge" minOccurs ="0"/>
+    </sequence>
+    <attribute type="positiveInteger" name="n_step"/>
+  </complexType>
+  <!-- OUTPUT TYPE -->
+  <complexType name="outputType">
+    <sequence>
+      <element type="qes:convergence_infoType" name="convergence_info" minOccurs="0"/>
+      <element type="qes:algorithmic_infoType" name="algorithmic_info"/>
+      <element type="qes:atomic_speciesType" name="atomic_species"/>
+      <element type="qes:atomic_structureType" name="atomic_structure"/>
+      <element type="qes:symmetriesType" name="symmetries" minOccurs="0" maxOccurs="1"/>
+      <element type="qes:basis_setType" name="basis_set"/>
+      <element type="qes:dftType" name="dft"/>
+      <element type="qes:outputPBCType" name="boundary_conditions" minOccurs="0" />
+      <element type="qes:magnetizationType" name="magnetization" minOccurs="0"/>
+      <element type="qes:total_energyType" name="total_energy"/>
+      <element type="qes:band_structureType" name="band_structure"/>
+      <element type="qes:matrixType" name="forces" minOccurs="0"/>
+      <element type="qes:matrixType" name="stress" minOccurs="0" />
+      <element type="qes:outputElectricFieldType" name="electric_field" minOccurs="0" />
+      <element type="double"  name="fcp_force" minOccurs="0"/>
+      <element type="double"  name="fcp_tot_charge" minOccurs="0"/>
+      <element type="qes:rism3dType" name="rism3d" minOccurs="0" />
+      <element type="qes:rismlaueType" name="rismlaue" minOccurs="0" />
+    </sequence>
+  </complexType>
+  <!-- Timing Info -->
+  <complexType name="timingType">
+    <sequence>
+      <element type = "qes:clockType" name="total" minOccurs="1" maxOccurs="1"/>
+      <element type = "qes:clockType" name="partial" minOccurs="0" maxOccurs="unbounded"/>
+    </sequence>
+  </complexType>
+  <complexType name="clockType">
+    <sequence>
+      <element type="double" name="cpu"/>
+      <element type="double" name="wall"/>
+    </sequence>
+    <attribute type="string" name="label" use="required"/>
+    <attribute type="positiveInteger" name="calls" use="optional"/>
+  </complexType>
+  <!-- CONTROL -->
+  <complexType name="control_variablesType">
+    <sequence>
+      <element type="string" name="title"/>
+      <element type="qes:calculationType" name="calculation" default="scf"/>
+      <element type="qes:controlRestartModeType" name="restart_mode" default="from_scratch"/>
+      <element type="string" name="prefix"/>
+      <element type="string" name="pseudo_dir"/>
+      <element type="string" name="outdir"/>
+      <element type="boolean" name="stress"/>
+      <element type="boolean" name="forces"/>
+      <element type="boolean" name="wf_collect" default="false"/>
+      <element type="qes:lowhighType" name="disk_io" default="low"/>
+      <element type="positiveInteger" name="max_seconds"/>
+      <element type="positiveInteger" name="nstep" minOccurs="0"/>
+      <element type="double" name="etot_conv_thr" default="1.0e-5"/>
+      <element type="double" name="forc_conv_thr" default="1.0e-3"/>
+      <element type="double" name="press_conv_thr" default="5e-1"/>
+      <element type="qes:lowhighType" name="verbosity" default="low"/>
+      <element type="positiveInteger" name="print_every"/>
+       <element type="boolean" name="fcp"/>
+      <element type="boolean" name="rism"/>    
+    </sequence>
+  </complexType>
+  <!-- COMMON TYPES -->
+  <!-- GENERAL INFO -->
+  <complexType name="xml_formatType">
+    <simpleContent>
+      <extension base="string">
+        <attribute type="string" name="NAME"/>
+        <attribute type="string" name="VERSION"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="creatorType">
+    <simpleContent>
+      <extension base="string">
+        <attribute type="string" name="NAME"/>
+        <attribute type="string" name="VERSION"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="createdType">
+    <simpleContent>
+      <extension base="string">
+        <attribute type="string" name="DATE"/>
+        <attribute type="string" name="TIME"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <!-- CONTROL -->
+  <simpleType name="calculationType">
+  	<restriction base="string">
+   <enumeration value="scf"/>
+  	<enumeration value="nscf"/>
+  	<enumeration value="bands"/>
+  	<enumeration value="relax"/>
+  	<enumeration value="vc-relax"/>
+  	<enumeration value="md"/>
+  	<enumeration value="vc-md"/>
+  	</restriction>
+  </simpleType>
+  <simpleType name="controlRestartModeType">
+  	<restriction base="string">
+    <enumeration value="from_scratch"/>
+  	<enumeration value="restart"/>
+  	</restriction>
+  </simpleType>
+  <simpleType name="lowhighType">
+  	<restriction base="string">
+  	  <enumeration value="low"/>
+  	  <enumeration value="high"/>
+  	</restriction>
+  </simpleType>
+  <!-- INPUT TYPE -->
+  <complexType name="atomic_speciesType">
+    <sequence>
+      <element type="qes:speciesType" name="species" maxOccurs="unbounded"/>
+    </sequence>
+    <attribute type="positiveInteger" name="ntyp"/>
+    <attribute type="string" name = "pseudo_dir" use = "optional"/>
+  </complexType>
+  <complexType name="speciesType">
+    <sequence>
+      <element type="double" name="mass" minOccurs="0" />
+      <element type="string" name="pseudo_file"/>
+      <element type="double" name="starting_magnetization" minOccurs="0" default="0.0"/>
+      <element type="double" name="spin_teta" minOccurs="0" maxOccurs="1" />
+      <element type="double" name="spin_phi"  minOccurs="0" maxOccurs="1" />
+    </sequence>
+    <attribute type="string" name="name"/>
+  </complexType>
+  <complexType name="atomic_structureType">
+    <sequence>
+      <choice minOccurs="1" maxOccurs="1">
+         <element type="qes:atomic_positionsType" name="atomic_positions" minOccurs="0"  />
+         <element type="qes:wyckoff_positionsType" name="wyckoff_positions" minOccurs="0" />
+         <element type="qes:atomic_positionsType" name="crystal_positions" minOccurs="0" />
+      </choice>
+      <element type="qes:cellType" name="cell"/>
+    </sequence>
+    <attribute type="positiveInteger" name="nat" />
+    <attribute type="double" name="alat" use="optional"/>
+    <attribute type="positiveInteger" name="bravais_index" use="optional"/>
+      <attribute type="string" name="alternative_axes" use="optional" />
+  </complexType>
+  <complexType name="atomic_positionsType">
+    <sequence>
+      <element type="qes:atomType" name="atom" maxOccurs="unbounded" />
+    </sequence>
+  </complexType>
+  <complexType name="atomType">
+    <simpleContent>
+      <extension base="qes:d3vectorType">
+    	<attribute type="string" name="name" />
+    	<attribute type="string" name="position" use="optional" />
+        <attribute type="positiveInteger" name="index" use="optional"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="wyckoff_positionsType">
+    <sequence>
+      <element type="qes:atomType" name="atom" maxOccurs="unbounded" />
+    </sequence>
+    <attribute type="unsignedByte" name="space_group" />
+    <attribute type="string" name="more_options" use="optional"/>
+  </complexType>
+  <complexType name="cellType">
+    <sequence>
+      <element type="qes:d3vectorType" name="a1"/>
+      <element type="qes:d3vectorType" name="a2"/>
+      <element type="qes:d3vectorType" name="a3"/>
+    </sequence>
+  </complexType>
+  <complexType name="dftType">
+    <sequence>
+      <element type="qes:functionalType" name="functional"/>
+      <element type="qes:hybridType" name="hybrid" minOccurs="0" />
+      <element type="qes:dftUType" name="dftU" minOccurs="0" />
+      <element type="qes:vdWType" name="vdW" minOccurs="0" />
+    </sequence>
+  </complexType>
+  <simpleType name="functionalType">
+    <restriction base="string">
+    <pattern value="[pP][zZ]"/>
+    <pattern value="[bB][pP]"/>
+    <pattern value="[pP][bB][eE]"/>
+    <pattern value="[rR][rE][vV][pP][bB][eE]"/>
+    <pattern value="[pP][bB][eE][sS][oO][lL]"/>
+    <pattern value="[bB][lL][yY][pP]"/>
+    <pattern value="[oO][lL][yY][pP]"/>
+    <pattern value="[pP][wW]91"/>
+    <pattern value="[wW][cC]"/>
+    <pattern value="[sS][oO][gG][gG][aA]"/>
+    <pattern value="[eE][vV]93"/>
+    <pattern value="[bB]3[lL][yY][pP]"/>
+    <pattern value="[gG][aA][uU][pP][bB][eE]"/>
+    <pattern value="[pP][bB][eE]0"/>
+    <pattern value="[hH][sS][eE]"/>
+    <pattern value="[vV][dD][wW]-[dD][fF]"/>
+    <pattern value="[vV][dD][wW]-[dD][fF]-CX"/>
+    <pattern value="[vV][dD][wW]-[dD][fF]-[cC]09"/>
+    <pattern value="[vV][dD][wW]-[dD][fF]-[oO][bB]86"/>
+    <pattern value="[vV][dD][wW]-[dD][fF]-[oO][bB][kK]8"/>
+    <pattern value="[vV][dD][wW]-[dD][fF]2"/>
+    <pattern value="[vV][dD][wW]-[dD][fF]2-[cC]09"/>
+    <pattern value="[vV][dD][wW]-[dD][fF]2-[bB]86[rR]"/>
+    <pattern value="[rR][vV][vV]10"/>
+    <pattern value="[rR][sS][cC][aA][nN]"/>
+    <pattern value="[bB][eE][eE][fF]"/>
+    <pattern value="[sS][Cc][Aa][nN]"/> 
+    <pattern value="[rR]2[sS][cC][aA][nN]"/> 
+    <pattern value="[A-Z]{2,4}\p{Zs}{1,3}[A-Z]{1,4}\p{Zs}{1,3}[A-Z]{1,4}\p{Zs}{1,4}[A-Z]{1,4}"/>
+    <pattern value=".*[xX][cC]_[lL][Dd][Aa]_[xX][cC]?_.*"/>
+    <pattern value=".*[xX][cC]_[mM]?[gG][Gg][Aa]_[xX][cC]?_.*"/>
+    <pattern value=".*[xX][cC]_[hH][yY][bB]_[mM]?[gG][Gg][Aa]_[xX][cC]?_.*"/>
+    <pattern value=".*[xX][cC]_[lL][Dd][Aa]_[cC]_.*"/>
+    <pattern value=".*[xX][cC]_[mM]?[gG][Gg][Aa]_[kKcC]_.*"/>
+    <pattern value=".*[xX][cC]_[hH][yY][bB]_[mM]?[gG][Gg][Aa]_[kKcC]?_.*"/>
+    <pattern value="XC(-[0-9][0-9][0-9][iL]){6}"/>
+    </restriction>
+  </simpleType>
+
+    <complexType name="hybridType">
+    <sequence>
+      <element type="qes:qpoint_gridType" name="qpoint_grid" minOccurs="0"/>
+      <element type="double" name="ecutfock" minOccurs="0"/>
+      <element type="double" name="exx_fraction" minOccurs="0"/>
+      <element type="double" name="screening_parameter" minOccurs="0"/>
+      <element type="string" name="exxdiv_treatment" minOccurs="0" default="gygi-baldereschi"/>
+      <element type="boolean" name="x_gamma_extrapolation" default="true" minOccurs="0"/>
+      <element type="double" name="ecutvcut" minOccurs="0" default="0"/>
+      <element type="double" name="localization_threshold" minOccurs="0" default="0.0"/>
+    </sequence>
+  </complexType>
+  <complexType name="qpoint_gridType">
+    <simpleContent>
+      <extension base="string">
+        <attribute type="positiveInteger" name="nqx1"/>
+        <attribute type="positiveInteger" name="nqx2"/>
+        <attribute type="positiveInteger" name="nqx3"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="dftUType">
+    <sequence>
+      <element type="unsignedByte" name="lda_plus_u_kind" minOccurs="0"/>
+      <element type="qes:HubbardOccType" name="Hubbard_Occ" minOccurs="0" maxOccurs="unbounded"/>
+      <element type="qes:HubbardCommonType" name="Hubbard_U" minOccurs="0" maxOccurs="unbounded"/>
+      <element type="qes:HubbardCommonType" name="Hubbard_J0" minOccurs="0" maxOccurs="unbounded"/>
+      <element type="qes:HubbardCommonType" name="Hubbard_alpha" minOccurs="0" maxOccurs="unbounded"/>
+      <element type="qes:HubbardCommonType" name="Hubbard_beta" minOccurs="0" maxOccurs="unbounded"/>
+      <element type="qes:HubbardJType" name="Hubbard_J" minOccurs="0" maxOccurs="unbounded"/>
+      <element type="qes:starting_nsType" name="starting_ns" minOccurs="0" maxOccurs="unbounded"/>
+      <element type="qes:HubbardInterSpecieVType" name="Hubbard_V" minOccurs="0" maxOccurs="unbounded"/> 
+      <element type="qes:Hubbard_nsType" name="Hubbard_ns" minOccurs="0" maxOccurs="unbounded"/>
+      <element type="qes:HubbardProjType" name="U_projection_type" minOccurs="0"/>
+      <element type="qes:HubbardBackType"  name="Hubbard_back"  minOccurs="0" maxOccurs="unbounded"/>
+      <element type="qes:HubbardCommonType" name="Hubbard_alpha_back" minOccurs="0" maxOccurs="unbounded"/>
+      <element type="qes:Hubbard_nsType" name="Hubbard_ns_nc" minOccurs="0" maxOccurs="unbounded"/>
+    </sequence>
+    <attribute type="boolean" name="new_format"/>
+  </complexType>
+  <complexType name="HubbardCommonType">
+    <simpleContent>
+      <extension base="double">
+        <attribute type="string" name="specie"/>
+        <attribute type="string" name="label" use="optional"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="HubbardInterSpecieVType">
+    <simpleContent>
+      <extension base="double">
+        <attribute type ="string" name="specie1" use="required"/>
+        <attribute type="integer" name="index1" use="required" />
+        <attribute type ="string" name="label1" />
+        <attribute type="string"  name="specie2" use="required"/>
+        <attribute type="integer" name="index2" use="required"/>  
+        <attribute type="string"  name="label2"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="SiteMomentType">
+    <simpleContent>
+      <extension base="double">
+        <attribute type="string"  name="species"/>
+        <attribute type="integer" name="atom"/>
+        <attribute type="double"  name="charge"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="HubbardJType">
+    <simpleContent>
+      <extension base="qes:d3vectorType">
+        <attribute type="string" name="specie"/>
+        <attribute type="string" name="label"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="ChannelOccType">
+    <simpleContent>
+      <extension base="qes:HubbardCommonType">
+        <attribute type="integer" name="index" use="required" />
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="HubbardOccType">
+    <sequence>
+      <element type="qes:ChannelOccType" name="channel_occ" minOccurs="1" maxOccurs="3"/>
+    </sequence>
+    <attribute type="positiveInteger" name="channels" use="required" />
+    <attribute type="string" name="specie" use="required"/> 
+  </complexType>
+  <complexType name="SitMagType">
+    <simpleContent>
+      <extension base="qes:d3vectorType">
+        <attribute type="string" name="species"/>
+        <attribute type="integer" name="atom"/>
+        <attribute type="double" name="charge"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="starting_nsType">
+    <simpleContent>
+      <extension base="qes:vectorType">
+        <attribute type="string" name="specie"/>
+        <attribute type="string" name="label"/>
+        <attribute type="positiveInteger" name="spin"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="Hubbard_nsType">
+    <simpleContent>
+      <extension base="qes:matrixType">
+        <attribute type="string" name="specie"/>
+        <attribute type="string" name="label"/>
+        <attribute type="positiveInteger" name="spin"/>
+        <attribute type="positiveInteger" name="index"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <simpleType name="HubbardProjType">
+     <restriction base="string">
+         <enumeration value="atomic"/>
+        <enumeration value="ortho-atomic"/>
+        <enumeration value="norm-atomic"/>
+        <enumeration value="pseudo"/>
+        <enumeration value="file"/>
+     </restriction>
+  </simpleType>
+  <complexType name="HubbardBackType">
+    <sequence>
+      <element type="double" name="Hubbard_U2" minOccurs="1" maxOccurs="1" />
+      <element type="positiveInteger" name="n2_number" minOccurs="1" maxOccurs="1"/>
+      <element type="positiveInteger" name="l2_number" minOccurs="1" maxOccurs="1"/>
+      <element type="positiveInteger" name="n3_number" minOccurs="0" maxOccurs="1"/>
+      <element type="positiveInteger" name="l3_number" minOccurs="0" maxOccurs="1"/>
+    </sequence>
+    <attribute type="qes:backrestrType" name="background" use="required"/>
+    <attribute type='string' name="label"/> 
+    <attribute type="string" name="species"/>
+  </complexType>
+  <simpleType name="backrestrType">
+    <restriction base="string">
+      <enumeration value="two_orbitals"/>
+      <enumeration value="one_orbital"/>
+    </restriction>
+  </simpleType>
+  <complexType name="vdWType">
+    <sequence>
+      <element type="string" name = "vdw_corr" minOccurs = "0"/>
+      <element type="integer" name="dftd3_version" minOccurs="0"/>
+      <element type="boolean" name="dftd3_threebody" minOccurs="0"/>
+      <element type="string" name = "non_local_term" minOccurs = "0" />
+       <element type="string" name = "functional" minOccurs = "0"/>
+      <element type="double" name="total_energy_term" minOccurs = "0"/>
+      <element type="double" name="london_s6" minOccurs="0"/>
+      <element type="double" name ="ts_vdw_econv_thr" minOccurs="0" maxOccurs="1"/>
+      <element type="boolean" name ="ts_vdw_isolated" minOccurs="0" maxOccurs="1"/>
+      <element type="double" name="london_rcut" minOccurs="0"/>
+      <element type="double" name="xdm_a1" minOccurs="0"/>
+      <element type="double" name="xdm_a2" minOccurs="0"/>
+      <element type="qes:HubbardCommonType" name = "london_c6" minOccurs="0" maxOccurs="unbounded"/>
+    </sequence>
+  </complexType>
+  <complexType name="spinType">
+    <sequence>
+      <element type="boolean" name="lsda"/>
+      <element type="boolean" name="noncolin"/>
+      <element type="boolean" name="spinorbit"/>
+    </sequence>
+  </complexType>
+  <complexType name="bandsType">
+    <sequence>
+      <element type="positiveInteger" name="nbnd" minOccurs="0"/>
+      <element type="qes:smearingType" name="smearing" minOccurs="0"/>
+      <element type="double" name="tot_charge" minOccurs="0"/>
+      <element type="double" name="tot_magnetization" minOccurs="0"/>
+      <element type="qes:occupationsType" name="occupations" />
+      <element type="qes:inputOccupationsType" name="inputOccupations" minOccurs="0" maxOccurs="2" />
+    </sequence>
+  </complexType>
+  <complexType name="smearingType">
+    <simpleContent>
+      <extension base="qes:smearingChoiceType">
+        <attribute type="double" name="degauss"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <simpleType name="smearingChoiceType">
+    <restriction base="string">
+    <enumeration value="gaussian"/>
+    <enumeration value="mp"/>
+    <enumeration value="mv"/>
+    <enumeration value="fd"/>
+    </restriction>
+  </simpleType>
+  <complexType name="occupationsType">
+    <simpleContent>
+      <extension base="string">
+        <attribute type="positiveInteger" name="spin" use="optional"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="basisType">
+    <sequence>
+      <element type="boolean" name="gamma_only" minOccurs="0" />
+      <element type="double" name="ecutwfc" />
+      <element type="double" name="ecutrho" minOccurs="0" />
+      <element type="qes:basisSetItemType" name="fft_grid" minOccurs="0" />
+      <element type="qes:basisSetItemType" name="fft_smooth" minOccurs="0" />
+      <element type="qes:basisSetItemType" name="fft_box" minOccurs="0" />
+    </sequence>
+  </complexType>
+  <complexType name="basis_setType">
+    <sequence>
+      <element type="boolean" name="gamma_only" minOccurs="0" />
+      <element type="double" name="ecutwfc" />
+      <element type="double" name="ecutrho" minOccurs="0" />
+      <element type="qes:basisSetItemType" name="fft_grid" />
+      <element type="qes:basisSetItemType" name="fft_smooth" minOccurs="0" />
+      <element type="qes:basisSetItemType" name="fft_box" minOccurs="0" />
+      <element type="positiveInteger" name="ngm" />
+      <element type="positiveInteger" name="ngms" minOccurs="0" />
+      <element type="positiveInteger" name="npwx" />
+      <element type="qes:reciprocal_latticeType" name="reciprocal_lattice" />
+    </sequence>
+  </complexType>
+  <complexType name="basisSetItemType">
+    <simpleContent>
+      <extension base="string">
+        <attribute type="positiveInteger" name="nr1"/>
+        <attribute type="positiveInteger" name="nr2"/>
+        <attribute type="positiveInteger" name="nr3"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="reciprocal_latticeType">
+    <sequence>
+      <element type="qes:d3vectorType" name="b1"/>
+      <element type="qes:d3vectorType" name="b2"/>
+      <element type="qes:d3vectorType" name="b3"/>
+    </sequence>
+  </complexType>
+  <complexType name="electron_controlType">
+    <sequence>
+      <element type="qes:diagoType" name="diagonalization"/>
+      <element type="qes:mixingModeType" name="mixing_mode"/>
+      <element type="double" name="mixing_beta"/>
+      <element type="double" name="conv_thr"/>
+      <element type="positiveInteger" name="mixing_ndim"/>
+      <element type="positiveInteger" name="max_nstep"/>
+      <element type="positiveInteger" name="exx_nstep" minOccurs="0"/> 
+      <element type="boolean" name="real_space_q" minOccurs="0" default="false" />
+      <element type="boolean" name="real_space_beta" minOccurs="0" default ="false"/>
+      <element type="boolean" name="tq_smoothing"/>
+      <element type="boolean" name="tbeta_smoothing"/>
+      <element type="double" name="diago_thr_init"/>
+      <element type="boolean" name="diago_full_acc"/>
+      <element type="nonNegativeInteger" name="diago_cg_maxiter" minOccurs="0"/>
+      <element type="nonNegativeInteger" name="diago_ppcg_maxiter" minOccurs="0"/>
+      <element type="positiveInteger" name="diago_david_ndim"    minOccurs="0"/>
+      <element type="positiveInteger" name="diago_rmm_ndim" minOccurs="0" default="4" />
+      <element type="positiveInteger" name="diago_gs_nblock" minOccurs="0" default="16"/>
+      <element type=" boolean" name="diago_rmm_conv" minOccurs="0" default="false"/> 
+    </sequence>
+  </complexType>
+  <complexType name="fcpType">
+    <sequence>
+      <element type="double" name="fcp_mu" minOccurs="0"/>
+      <element type="string" name="fcp_dynamics" minOccurs="0"/>
+      <element type="double" name="fcp_conv_thr" minOccurs="0"/>
+      <element type="integer" name="fcp_ndiis" minOccurs="0"/>
+      <element type="double" name="fcp_rdiis" minOccurs="0"/>
+      <element type="double" name="fcp_mass" minOccurs="0"/>
+      <element type="double" name="fcp_velocity" minOccurs="0"/>
+      <element type="string" name="fcp_temperature" minOccurs="0"/>
+      <element type="double" name="fcp_tempw" minOccurs="0"/>
+      <element type="double" name="fcp_tolp" minOccurs="0"/>
+      <element type="double" name="fcp_delta_t" minOccurs="0"/>
+      <element type="integer" name="fcp_nraise" minOccurs="0"/>
+      <element type="boolean" name="freeze_all_atoms" minOccurs="0"/>
+    </sequence>
+  </complexType>
+  <complexType name="rismType">
+    <sequence>
+      <element type="integer" name="nsolv" minOccurs="1"/>
+      <element type="qes:soluteType"   name="solute" minOccurs="1" maxOccurs="unbounded" />
+      <element type="string"  name="closure" minOccurs="0"/>
+      <element type="double"  name="tempv" minOccurs="0"/>
+      <element type="double"  name="ecutsolv" minOccurs="0"/>
+      <element type="double"  name="rmax_lj" minOccurs="0"/>
+      <element type="double"  name="rmax1d" minOccurs="0"/>
+      <element type="string"  name="starting1d" minOccurs="0"/>
+      <element type="string"  name="starting3d" minOccurs="0"/>
+      <element type="double"  name="smear1d" minOccurs="0"/>
+      <element type="double"  name="smear3d" minOccurs="0"/>
+      <element type="integer" name="rism1d_maxstep" minOccurs="0"/>
+      <element type="integer" name="rism3d_maxstep" minOccurs="0"/>
+      <element type="double"  name="rism1d_conv_thr" minOccurs="0"/>
+      <element type="double"  name="rism3d_conv_thr" minOccurs="0"/>
+      <element type="integer" name="mdiis1d_size" minOccurs="0"/>
+      <element type="integer" name="mdiis3d_size" minOccurs="0"/>
+      <element type="double"  name="mdiis1d_step" minOccurs="0"/>
+      <element type="double"  name="mdiis3d_step" minOccurs="0"/>
+      <element type="double"  name="rism1d_bond_width" minOccurs="0"/>
+      <element type="double"  name="rism1d_dielectric" minOccurs="0"/>
+      <element type="double"  name="rism1d_molesize" minOccurs="0"/>
+      <element type="integer" name="rism1d_nproc" minOccurs="0"/>
+      <element type="integer" name="rism1d_nproc_switch" minOccurs="0"/>
+      <element type="double"  name="rism3d_conv_level" minOccurs="0"/>
+      <element type="boolean" name="rism3d_planar_average" minOccurs="0"/>
+      <element type="integer" name="laue_nfit" minOccurs="0"/>
+      <element type="double"  name="laue_expand_right" minOccurs="0"/>
+      <element type="double"  name="laue_expand_left" minOccurs="0"/>
+      <element type="double"  name="laue_starting_right" minOccurs="0"/>
+      <element type="double"  name="laue_starting_left" minOccurs="0"/>
+      <element type="double"  name="laue_buffer_right" minOccurs="0"/>
+      <element type="double"  name="laue_buffer_right_solu" minOccurs="0"/>
+      <element type="double"  name="laue_buffer_right_solv" minOccurs="0"/>
+      <element type="double"  name="laue_buffer_left" minOccurs="0"/>
+      <element type="double"  name="laue_buffer_left_solu" minOccurs="0"/>
+      <element type="double"  name="laue_buffer_left_solv" minOccurs="0"/>
+      <element type="boolean" name="laue_both_hands" minOccurs="0"/>
+      <element type="string"  name="laue_reference" minOccurs="0"/>
+      <element type="string"  name="laue_wall" minOccurs="0"/>
+      <element type="double"  name="laue_wall_z" minOccurs="0"/>
+      <element type="double"  name="laue_wall_rho" minOccurs="0"/>
+      <element type="double"  name="laue_wall_epsilon" minOccurs="0"/>
+      <element type="double"  name="laue_wall_sigma" minOccurs="0"/>
+      <element type="boolean" name="laue_wall_lj6" minOccurs="0"/>
+    </sequence>
+  </complexType>
+  <complexType name="soluteType">
+    <sequence>
+      <element type="string" name="solute_lj" minOccurs="1"/>
+      <element type="double" name="epsilon" minOccurs="1"/>
+      <element type="double" name="sigma" minOccurs="1"/>
+    </sequence>
+  </complexType>
+  <complexType name="solventType">
+    <sequence>
+      <element type="string" name="label" minOccurs="1"/>
+      <element type="string" name="molec_file" minOccurs="1"/>
+      <element type="double" name="density1" minOccurs="1"/>
+      <element type="double" name="density2" minOccurs="0"/>
+      <element type="string" name="unit" minOccurs="0"/>
+    </sequence>
+  </complexType>
+  <simpleType name="mixingModeType">
+    <restriction base="string">
+      <enumeration value="plain"/>
+      <enumeration value="TF"/>
+      <enumeration value="local-TF"/>
+    </restriction>
+  </simpleType>
+  <simpleType name="diagoType">
+    <restriction base="string">
+    <pattern value="davidson"/>
+    <pattern value="cg"/>
+    <pattern value="ppcg"/>
+    <pattern value="paro"/>
+    <pattern value="\s*rmm(-davidson|-paro)\s*"/>
+    </restriction>
+  </simpleType>
+  <complexType name="k_points_IBZType">
+    <choice minOccurs="1" maxOccurs="1">
+      <element type="qes:monkhorst_packType" name="monkhorst_pack" minOccurs="0" maxOccurs="1"/>
+      <sequence>
+        <element type="positiveInteger" name="nk" minOccurs="0"/>
+        <element type="qes:k_pointType" name="k_point" maxOccurs="unbounded" minOccurs="0"/>
+      </sequence>
+    </choice>
+  </complexType>
+  <complexType name="monkhorst_packType">
+    <simpleContent>
+      <extension base="string">
+        <attribute type="positiveInteger" name="nk1"/>
+        <attribute type="positiveInteger" name="nk2"/>
+        <attribute type="positiveInteger" name="nk3"/>
+        <attribute type="nonNegativeInteger" name="k1"/>
+        <attribute type="nonNegativeInteger" name="k2"/>
+        <attribute type="nonNegativeInteger" name="k3"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="k_pointType">
+    <simpleContent>
+      <extension base="qes:d3vectorType">
+        <attribute type="double" name="weight" use="optional"/>
+        <attribute type="string" name="label" use = "optional"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="ion_controlType">
+    <sequence>
+      <element type="string" name="ion_dynamics" />
+      <element type="double" name="upscale" minOccurs="0" />
+      <element type="boolean" name="remove_rigid_rot" minOccurs="0" />
+      <element type="boolean" name="refold_pos" minOccurs="0" />
+      <element type="qes:bfgsType" name="bfgs" minOccurs="0" />
+      <element type="qes:mdType" name="md" minOccurs="0" />
+    </sequence>
+  </complexType>
+  <complexType name="bfgsType">
+    <sequence>
+      <element type="positiveInteger" name="ndim"/>
+      <element type="double" name="trust_radius_min"/>
+      <element type="double" name="trust_radius_max"/>
+      <element type="double" name="trust_radius_init"/>
+      <element type="double" name="w1"/>
+      <element type="double" name="w2"/>
+    </sequence>
+  </complexType>
+  <complexType name="mdType">
+    <sequence>
+      <element type="string" name="pot_extrapolation"/>
+      <element type="string" name="wfc_extrapolation"/>
+      <element type="string" name="ion_temperature"/>
+      <element type="double" name="timestep" default="20.0" maxOccurs='1'/>
+      <element type="double" name="tempw"/>
+      <element type="double" name="tolp"/>
+      <element type="double" name="deltaT"/>
+      <element type="positiveInteger" name="nraise"/>
+    </sequence>
+  </complexType>
+  <complexType name="cell_controlType">
+    <sequence>
+      <element type="string" name="cell_dynamics"/>
+      <element type="double" name="pressure" default="0.0" />
+      <element type="double" name="wmass" minOccurs="0" />
+      <element type="double" name="cell_factor" minOccurs="0" />
+      <choice minOccurs="0" maxOccurs="1">
+        <element  type="qes:celldofreeType" name="cell_do_free"  minOccurs="0"/>
+        <sequence>
+          <!-- legacy deprecated choice --> 
+          <element type="boolean" name="fix_volume" minOccurs="0" />
+          <element type="boolean" name="fix_area"   minOccurs="0" />
+          <element type="boolean" name="isotropic" minOccurs="0" />
+          <element type="qes:integerMatrixType" name="free_cell" minOccurs="0" />
+        </sequence>
+      </choice>
+    </sequence>
+  </complexType>
+  <simpleType name="celldofreeType">
+    <restriction base="string">
+      <pattern value="\s*all\s*"/>
+      <pattern value="\s*ibrav(\+all)\s*"/>
+      <pattern value="\s*(ibrav\+){0,1}[xyz]\s*"/>
+      <pattern value="\s*(ibrav\+){0,1}x[yz]\s*"/>
+      <pattern value="\s*(ibrav\+)xyz\s*"/>
+      <pattern value="\s*(ibrav\+){0,1}shape\s*"/>
+      <pattern value="\s*(ibrav\+){0,1}volume\s*"/>
+      <pattern value="\s*(ibrav\+){0,1}2Dxy\s*"/> 
+      <pattern value="\s*(ibrav\+){0,1}2DShape\s*"/>
+      <pattern value="\s*(ibrav\+){0,1}epitaxial_[ab][bc]\s*"/>
+    </restriction>
+  </simpleType>
+  <complexType name="symmetry_flagsType">
+    <sequence>
+      <element type="boolean" name="nosym"/>
+      <element type="boolean" name="nosym_evc"/>
+      <element type="boolean" name="noinv"/>
+      <element type="boolean" name="no_t_rev"/>
+      <element type="boolean" name="force_symmorphic"/>
+      <element type="boolean" name="use_all_frac"/>
+    </sequence>
+  </complexType>
+  <complexType name="boundary_conditionsType">
+    <sequence>
+      <element type="string" name="assume_isolated"/>
+      <element type="qes:esmType" name="esm" minOccurs = "0"/>
+      <element type="qes:gcscfType" name="gcscf" minOccurs = "0"/>
+    </sequence>
+  </complexType>
+  <complexType name="esmType">
+    <sequence>
+      <element type="string" name="bc"/>
+      <element type="positiveInteger" name="nfit" minOccurs = "0"/>
+      <element type="double" name="w" minOccurs = "0"/>
+      <element type="double" name="efield" minOccurs = "0"/>
+      <element type="double" name="a" minOccurs = "0"/>
+      <element type="double" name="zb" minOccurs = "0"/>
+      <element type="boolean" name="debug" minOccurs = "0"/>
+      <element type="integer" name="debug_gpmax" minOccurs = "0"/>
+    </sequence>
+  </complexType>
+  <complexType name="gcscfType">
+    <sequence>
+      <element type="boolean" name="ignore_mun" minOccurs = "0"/>
+      <element type="double" name="mu" minOccurs = "0"/>
+      <element type="double" name="conv_thr" minOccurs = "0"/>
+      <element type="double" name="gk" minOccurs = "0"/>
+      <element type="double" name="gh" minOccurs = "0"/>
+      <element type="double" name="beta" minOccurs = "0"/>
+    </sequence>
+  </complexType>
+  <complexType name="solventsType">
+    <sequence>
+      <element type="qes:solventType"  name="solvent" minOccurs="1" maxOccurs="unbounded" />
+    </sequence>
+  </complexType>
+  <complexType name="ekin_functionalType">
+    <sequence>
+      <element type="double" name="ecfixed"/>
+      <element type="double" name="qcutz"/>
+      <element type="double" name="q2sigma"/>
+    </sequence>
+  </complexType>
+  <complexType name="spin_constraintsType">
+    <sequence>
+      <element type="string" name="spin_constraints"/>
+      <element type="double" name="lagrange_multiplier"/>
+      <element type="qes:d3vectorType" name="target_magnetization" minOccurs="0" maxOccurs="1"/>
+    </sequence>
+  </complexType>
+  <complexType name="electric_fieldType">
+    <sequence>
+       <element type="qes:electric_potentialType"  name="electric_potential" minOccurs="1" maxOccurs="1"/>
+       <element type="boolean" name="dipole_correction" minOccurs="0" maxOccurs="1" default="false"/>
+       <element type="qes:gate_settingsType" name="gate_settings" minOccurs="0" maxOccurs="1" />
+       <element type="integer" name="electric_field_direction" minOccurs="0" maxOccurs="1"/>
+       <element type="double"  name="potential_max_position" minOccurs="0" maxOccurs="1"/>
+       <element type="double"  name="potential_decrease_width" minOccurs="0" maxOccurs="1"/>
+       <element type="double"  name="electric_field_amplitude"      minOccurs="0" maxOccurs="1"/>
+       <element type="qes:d3vectorType" name="electric_field_vector" minOccurs="0" maxOccurs="1"/>
+       <element type="integer"          name="nk_per_string"  minOccurs="0"  maxOccurs="1"/>
+       <element type="integer"   name = "n_berry_cycles" minOccurs="0" maxOccurs="1"/>
+    </sequence>
+  </complexType>
+  <simpleType name="electric_potentialType">
+     <restriction base="string">
+  	<enumeration value="sawtooth_potential"/>
+  	<enumeration value="homogenous_field"/>
+        <enumeration value="Berry_Phase" />
+       <enumeration value="none"/>
+     </restriction>
+  </simpleType>
+  <complexType name="gate_settingsType">
+    <sequence>
+      <element name="use_gate" type="boolean" minOccurs="1" maxOccurs="1"/>
+      <element name="zgate" type="double" minOccurs="0" maxOccurs="1"/>
+      <element name="relaxz" type="boolean" minOccurs="0" maxOccurs="1"/>
+      <element name="block" type="boolean" minOccurs="0" maxOccurs="1"/>
+      <element name="block_1" type="double" minOccurs="0" maxOccurs="1"/>
+      <element name="block_2" type="double" minOccurs="0" maxOccurs="1"/>
+      <element name="block_height" type="double" minOccurs="0" maxOccurs="1"/>
+    </sequence>
+  </complexType>
+  <complexType name="atomic_constraintsType" >
+    <sequence>
+       <element type="integer" name="num_of_constraints" minOccurs="1"  maxOccurs="1"/>
+       <element type="double"  name="tolerance"          minOccurs="1" maxOccurs="1"/>
+       <element type="qes:atomic_constraintType" name="atomic_constraint" minOccurs="1" maxOccurs="unbounded"/>
+    </sequence>
+  </complexType>
+  <complexType name="atomic_constraintType">
+     <sequence>
+        <element type="qes:constr_parms_listType" name="constr_parms" />
+        <element type="qes:constr_typeType" name="constr_type"/>
+        <element type="double"  name="constr_target" minOccurs="0"/>
+     </sequence>
+  </complexType>
+  <simpleType name="constr_parms_listType">
+    <restriction>
+       <simpleType>
+         <list itemType="double"/>
+       </simpleType>
+       <minLength value="2"/>
+       <maxLength value="4"/> 
+    </restriction>
+  </simpleType>
+
+  <simpleType name= "constr_typeType">
+     <restriction base="string">
+        <enumeration value="type_coord"/>
+        <enumeration value="atom_coord"/>
+        <enumeration value="distance"  />
+        <enumeration value="planar_angle"/>
+        <enumeration value="torsional_angle"/>
+        <enumeration value="bennet_proj"/>
+	<enumeration value="potential_wall"/> 
+     </restriction>
+  </simpleType>
+
+  <complexType name="inputOccupationsType">
+     <simpleContent>
+        <extension base="qes:vectorType">
+           <attribute type="positiveInteger" name="ispin"/>
+           <attribute type="double" name="spin_factor"/>
+        </extension>
+     </simpleContent>
+  </complexType>
+
+  <!-- OUTPUT TYPE -->
+
+  <complexType name="outputElectricFieldType">
+    <sequence>
+      <element name="BerryPhase" type="qes:BerryPhaseOutputType" minOccurs="0"/>
+      <element name="finiteElectricFieldInfo" type="qes:finiteFieldOutType" minOccurs="0" />
+      <element name="dipoleInfo" type="qes:dipoleOutputType" minOccurs="0" />
+      <element name="gateInfo" type="qes:gateInfoType" minOccurs="0" maxOccurs="1"/>
+    </sequence>
+  </complexType>
+  <complexType name="BerryPhaseOutputType">
+    <sequence>
+      <element name="totalPolarization" type="qes:polarizationType"  />
+      <element name="totalPhase" type="qes:phaseType"/>
+      <element name="ionicPolarization" type="qes:ionicPolarizationType" maxOccurs="unbounded"/>
+      <element name="electronicPolarization" type="qes:electronicPolarizationType" maxOccurs="unbounded"/>
+    </sequence>
+  </complexType>
+
+  <complexType name="dipoleOutputType">
+    <sequence>
+      <element type="positiveInteger" name="idir"/>
+      <element type="qes:scalarQuantityType" name = "dipole"/>
+      <element type="qes:scalarQuantityType" name = "ion_dipole"/>
+      <element type="qes:scalarQuantityType" name = "elec_dipole"/>
+      <element type="qes:scalarQuantityType" name="dipoleField"/>
+      <element type="qes:scalarQuantityType" name="potentialAmp"/>
+      <element type="qes:scalarQuantityType" name="totalLength"/>
+    </sequence>
+  </complexType>
+
+
+  <complexType name="finiteFieldOutType">
+    <sequence>
+      <element type="qes:d3vectorType" name="electronicDipole"/>
+      <element type="qes:d3vectorType" name="ionicDipole"/>
+    </sequence>
+  </complexType>
+
+
+
+  <complexType name="polarizationType">
+    <sequence>
+      <element type="qes:scalarQuantityType" name="polarization"/>
+      <element type="double" name="modulus" />
+      <element type="qes:d3vectorType" name="direction"/>
+   </sequence>
+  </complexType>
+
+
+  <complexType name="ionicPolarizationType">
+    <sequence>
+      <element name="ion" type="qes:atomType"/>
+      <element name="charge" type="double"/>
+      <element name="phase"  type="qes:phaseType"/>
+    </sequence>
+  </complexType>
+
+  <complexType name="electronicPolarizationType">
+    <sequence>
+      <element name="firstKeyPoint" type="qes:k_pointType"/>
+      <element name="spin" type="positiveInteger" minOccurs="0"/>
+      <element name="phase" type="qes:phaseType"/>
+    </sequence>
+  </complexType>
+
+  <complexType name="phaseType">
+    <simpleContent>
+      <extension base="double">
+        <attribute type="double" name="ionic" use="optional"/>
+        <attribute type="double" name="electronic" use="optional"/>
+        <attribute type="string" name="modulus" use="optional"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+
+  <complexType name="gateInfoType">
+    <sequence>
+      <element name="pot_prefactor" type="double" minOccurs="1" maxOccurs="1"/>
+      <element name="gate_zpos" type="double" minOccurs="1" maxOccurs="1"/>
+      <element name="gate_gate_term" type="double" minOccurs="1" maxOccurs="1"/>
+      <element name="gatefieldEnergy" type="double" minOccurs="1" maxOccurs="1"/>
+    </sequence>
+  </complexType>
+
+  <complexType name="convergence_infoType">
+    <sequence>
+      <element type="qes:scf_convType" name="scf_conv"/>
+      <element type="qes:opt_convType" name="opt_conv" minOccurs="0"/>
+    </sequence>
+  </complexType>
+  <complexType name="scf_convType">
+    <sequence>
+        <element type="boolean" name="convergence_achieved"/>
+      <element type="positiveInteger" name="n_scf_steps"/>
+      <element type="double" name="scf_error"/>
+    </sequence>
+  </complexType>
+  <complexType name="opt_convType">
+    <sequence>
+        <element type="boolean" name="convergence_achieved"/>
+      <element type="integer" name="n_opt_steps"/>
+      <element type="double" name="grad_norm"/>
+    </sequence>
+  </complexType>
+  <complexType name="algorithmic_infoType">
+    <sequence>
+      <element type="boolean" name="real_space_q"/>
+      <element type ="boolean" name="real_space_beta" minOccurs="0"/>
+      <element type="boolean" name="uspp"/>
+      <element type="boolean" name="paw"/>
+    </sequence>
+  </complexType>
+  <complexType name="symmetriesType">
+    <sequence>
+      <element type="unsignedByte" name="nsym"/>
+      <element type="unsignedByte" name="nrot"/>
+      <element type="unsignedByte" name="space_group"/>
+      <element type="qes:symmetryType" name="symmetry" maxOccurs="48" minOccurs="1"/>
+    </sequence>
+  </complexType>
+  <complexType name="symmetryType">
+    <sequence>
+      <element type="qes:infoType" name="info"/>
+      <element type="qes:matrixType" name="rotation"/>
+      <element type="qes:d3vectorType" name="fractional_translation" minOccurs="0"/>
+      <element type="qes:equivalent_atomsType" name="equivalent_atoms" minOccurs="0"/>
+    </sequence>
+  </complexType>
+  <complexType name="equivalent_atomsType">
+    <simpleContent>
+      <extension base="qes:integerVectorType">
+        <attribute type="positiveInteger" name="nat"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="infoType">
+    <simpleContent>
+      <extension base="string">
+        <attribute type="string" name="name" use="optional"/>
+        <attribute  type="string" name="class" use="optional"/>
+        <attribute type="boolean" name="time_reversal" use="optional"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="outputPBCType">
+    <sequence>
+      <element type="string" name="assume_isolated"/>
+    </sequence>
+  </complexType>
+  <complexType name="magnetizationType">
+    <sequence>
+      <element type="boolean" name="lsda"/>
+      <element type="boolean" name="noncolin"/>
+      <element type="boolean" name="spinorbit"/>
+      <choice>
+        <element type="double"  name="total" minOccurs="0"/>
+        <element type="qes:d3vectorType" name="total_vec" minOccurs="0"/>
+      </choice>
+      <element type="double"  name="absolute"/>
+      <choice minOccurs="0" maxOccurs="1">
+        <element  type="qes:scalmagsType" name="Scalar_Site_Magnetic_Moments" minOccurs="0"/>
+        <element  type="qes:d3magsType"   name="Site_Magnetizations" minOccurs="0"/>
+      </choice>
+      <element type="boolean" name="do_magnetization" minOccurs="0"/>
+    </sequence>
+  </complexType>
+  <complexType name="total_energyType">
+    <sequence>
+      <element type="double" name="etot"/>
+      <element type="double" name="eband" minOccurs="0"/>
+      <element type="double" name="ehart" minOccurs="0"/>
+      <element type="double" name="vtxc"  minOccurs="0"/>
+      <element type="double" name="etxc"  minOccurs="0"/>
+      <element type="double" name="ewald" minOccurs="0"/>
+      <element type="double" name="demet" minOccurs="0"/>
+      <element type="double" name="efieldcorr" minOccurs="0"/>
+      <element type="double" name="potentiostat_contr" minOccurs="0"/>
+      <element type="double" name="gatefield_contr" minOccurs="0"/>
+      <element type="double" name="vdW_term" minOccurs="0"/>
+      <element type="double" name="esol" minOccurs="0"/>
+      <element type="double" name="levelshift_contr" minOccurs="0"/>
+    </sequence>
+  </complexType>
+  <complexType name="band_structureType">
+    <sequence>
+      <element type="boolean" name="lsda"/>
+      <element type="boolean" name="noncolin"/>
+      <element type="boolean" name="spinorbit"/>
+      <element type="positiveInteger" name="nbnd" minOccurs="0"/>
+      <element type="nonNegativeInteger" name="nbnd_up" minOccurs="0" />
+      <element type="nonNegativeInteger" name="nbnd_dw" minOccurs="0" />
+      <element type="double" name="nelec"/>
+      <element type="integer" name = "num_of_atomic_wfc" minOccurs = "0"/>
+      <element type="boolean" name = "wf_collected" />
+      <element type="double" name="fermi_energy" minOccurs="0" />
+      <element type="double" name="highestOccupiedLevel" minOccurs ="0"/>
+      <element type="double" name="lowestUnoccupiedLevel" minOccurs="0"/>
+      <element name="two_fermi_energies" type="qes:d2vectorType" minOccurs="0"/>
+      <element type="qes:k_points_IBZType" name="starting_k_points" />
+      <element type="positiveInteger" name="nks"/>
+      <element type="qes:occupationsType" name="occupations_kind" />
+      <element type="qes:smearingType"    name="smearing" minOccurs="0" />
+      <element type="qes:ks_energiesType" name="ks_energies" maxOccurs="unbounded"/>
+    </sequence>
+  </complexType>
+  <complexType name="ks_energiesType">
+    <sequence>
+      <element type="qes:k_pointType" name="k_point"/>
+      <element type="positiveInteger" name="npw"/>
+      <element type="qes:vectorType" name="eigenvalues"/>
+      <element type="qes:vectorType" name="occupations"/>
+    </sequence>
+  </complexType>
+  <complexType name="closedType">
+    <simpleContent>
+      <extension base="string">
+        <attribute type="string" name="DATE"/>
+        <attribute type="string" name="TIME"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="cpstatusType">
+    <sequence>
+      <element type="qes:cpnumstepType" name="STEP" minOccurs="1" maxOccurs="1"/>
+      <element type="qes:scalarQuantityType" name="TIME" minOccurs="1" maxOccurs="1"/>
+      <element type="string" name="TITLE" minOccurs="1"/>
+      <element type="qes:scalarQuantityType" name="KINETIC_ENERGY" minOccurs="1"/>
+      <element type="qes:scalarQuantityType" name="HARTREE_ENERGY" minOccurs="1"/>
+      <element type="qes:scalarQuantityType" name="EWALD_TERM" minOccurs="1"/>
+      <element type="qes:scalarQuantityType" name="GAUSS_SELFINT" minOccurs="1"/>
+      <element type="qes:scalarQuantityType" name="LPSP_ENERGY" minOccurs="1"/>
+      <element type="qes:scalarQuantityType" name="NLPSP_ENERGY" minOccurs="1"/>
+      <element type="qes:scalarQuantityType" name="EXC_ENERGY" minOccurs="1"/>
+      <element type="qes:scalarQuantityType" name="AVERAGE_POT" minOccurs="1"/>
+      <element type="qes:scalarQuantityType" name="ENTHALPY" minOccurs="1"/>
+    </sequence>
+  </complexType>
+
+
+  <complexType name="cpnumstepType">
+    <simpleContent>
+      <extension base="qes:emptyType">
+        <attribute name="ITERATION" type="integer"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+
+
+  <simpleType name="emptyType">
+    <restriction base="string">
+      <enumeration value=""/>
+      <enumeration value="iteration number"/> 
+    </restriction>
+  </simpleType>
+
+  <complexType name="cptimestepsType">
+    <sequence>
+      <element name="STEP0" type="qes:cpstepType" minOccurs="1"/>
+      <element name="STEPM" type="qes:cpstepType" minOccurs="1"/>
+    </sequence>
+    <attribute name="nt" type="integer"/>
+  </complexType>
+
+  <complexType name="cpstepType">
+    <sequence>
+      <element name="ACCUMULATORS" type="qes:doubleListType" minOccurs="0"/>
+      <element name="IONS_POSITIONS" type="qes:cp_ionPosType" minOccurs="1"/>
+      <element name="IONS_NOSE" type="qes:cp_ionsNoseType" minOccurs="1"/>
+      <element name="ekincm" type="double" minOccurs="0"/>
+      <element name="ELECTRONS_NOSE" type="qes:cp_elecNoseType" minOccurs="1"/>
+      <element name="CELL_PARAMETERS" type="qes:cp_cellType" minOccurs="1"/>
+      <element name="CELL_NOSE" type="qes:cp_cellNoseType" minOccurs="1"/>
+    </sequence>
+  </complexType>
+  
+  <complexType name="cp_ionPosType">
+    <sequence>
+      <element name="stau" type="qes:doubleListType" minOccurs="1"/>
+      <element name="svel" type="qes:doubleListType" minOccurs="1"/>
+      <element name="taui" type="qes:doubleListType" minOccurs="0"/>
+      <element name ="cdmi" type="qes:d3vectorType" minOccurs="0"/>
+      <element name="force" type="qes:doubleListType" minOccurs="0"/>
+    </sequence>
+  </complexType>
+
+  <complexType name="cp_ionsNoseType">
+    <sequence>
+      <element type="integer" name="nhpcl" minOccurs="1"/>
+      <element type="integer" name="nhpdim" minOccurs="1"/>
+      <element type="double" name="xnhp" minOccurs="1"/>
+      <element type="double" name="vnhp" minOccurs="0"/>
+    </sequence>
+  </complexType>
+  
+  <complexType name="cp_elecNoseType">
+    <sequence>
+      <element name="xnhe" type="double" minOccurs="1"/>
+      <element name="vnhe" type="double" minOccurs="0"/>
+    </sequence>
+  </complexType>
+  
+  <complexType name="cp_cellType">
+    <sequence>
+      <element name="ht" type="qes:doubleListType" minOccurs="1"/>
+      <element name="htvel" type="qes:doubleListType" minOccurs="0"/>
+      <element name="gvel" type="qes:doubleListType" minOccurs="0"/>
+    </sequence>
+  </complexType>
+
+  <complexType name="cp_cellNoseType">
+    <sequence>
+      <element type="qes:doubleListType" name="xnhh" minOccurs="1"/>
+      <element type="qes:doubleListType" name="vnhh" minOccurs="0"/>
+    </sequence>
+  </complexType>
+
+
+<complexType name="scalmagsType"> 
+  <sequence>
+    <element type="qes:SiteMomentType" name="SiteMagnetization" minOccurs="1" maxOccurs="unbounded"/>
+  </sequence>
+  <attribute name="nat" type="integer"/>
+</complexType>
+<complexType name="d3magsType">
+  <sequence>
+    <element type="qes:SitMagType" name="SiteMagnetization" minOccurs="1" maxOccurs="unbounded"/>
+  </sequence>
+  <attribute type="integer" name="nat"/>
+</complexType> 
+
+
+ <simpleType name="statusType">
+      <restriction base="integer">
+         <enumeration value="-1"/>
+         <enumeration value="0" />
+         <enumeration value="1" />
+         <enumeration value="2" />
+         <enumeration value="3" />
+         <enumeration value="255"/>
+      </restriction>
+  </simpleType>
+  <!-- FPMD TYPES (ref: quantum-simulation.org) -->
+  <simpleType name="d3vectorType">
+    <restriction>
+       <simpleType>
+         <list itemType="double"/>
+       </simpleType>
+       <length value="3"/>
+    </restriction>
+  </simpleType>
+  <simpleType name="d2vectorType">
+    <restriction>
+      <simpleType>
+        <list itemType="double"/>
+      </simpleType>
+      <length value="2"/>
+    </restriction>
+  </simpleType>
+  <!--
+  <simpleType name="vectorType">
+    <restriction>
+       <simpleType>
+         <list itemType="double"/>
+       </simpleType>
+    </restriction>
+  </simpleType>
+  -->
+  <simpleType name="integerListType">
+    <list itemType="integer"/>
+  </simpleType>
+
+  <simpleType name="doubleListType">
+    <list itemType="double"/>
+  </simpleType>
+
+  <complexType name = "vectorType">
+    <simpleContent>
+      <extension base="qes:doubleListType">
+        <attribute name="size" type="integer" use="required"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+
+  <complexType name="integerVectorType">
+    <simpleContent>
+      <extension base="qes:integerListType">
+        <attribute name="size" type="integer" use="required"/>
+      </extension>
+    </simpleContent>
+  </complexType>
+  <complexType name="matrixType">
+    <simpleContent>
+      <extension base="qes:doubleListType">
+        <attribute name="rank" type="positiveInteger" use="required"/>
+        <attribute name="dims" type="qes:integerListType" use="required"/>
+        <attribute name="order" use="optional">
+          <simpleType>
+            <restriction base="string">
+              <enumeration value="F"/>
+              <enumeration value="C"/>
+            </restriction>
+          </simpleType>
+        </attribute>
+      </extension>
+    </simpleContent>
+  </complexType>
+
+  <complexType name="integerMatrixType">
+    <simpleContent>
+      <extension base="qes:integerListType">
+        <attribute name="rank" type="positiveInteger" use="required"/>
+        <attribute name="dims" type="qes:integerListType" use="required"/>
+        <attribute name="order" >
+          <simpleType>
+            <restriction base="string">
+              <enumeration value="F"/>
+              <enumeration value="C"/>
+            </restriction>
+          </simpleType>
+        </attribute>
+      </extension>
+    </simpleContent>
+  </complexType>
+
+  <complexType name="scalarQuantityType">
+    <simpleContent>
+      <extension base="double">
+        <attribute type="string" name="Units"/>
+        <!--attribute type="string" name="UNITS"/-->
+      </extension>
+    </simpleContent>
+  </complexType>
+   <complexType name="rism3dType">
+    <sequence>
+      <element type="integer" name="nmol" minOccurs="1"/>
+      <element type="string" name="molec_dir" minOccurs="0"/>
+      <element type="qes:solventType" name="solvent" minOccurs="1" maxOccurs="unbounded"/>
+      <element type="double" name="ecutsolv" minOccurs="1"/>
+    </sequence>
+  </complexType>
+  <complexType name="rismlaueType">
+    <sequence>
+      <element type="boolean" name="both_hands"  minOccurs="0"/>
+      <element type="integer" name="nfit"  minOccurs="0"/>
+      <element type="integer" name="pot_ref"  minOccurs="0"/>
+      <element type="double"  name="charge"  minOccurs="0"/>
+      <element type="double"  name="right_start"  minOccurs="0"/>
+      <element type="double"  name="right_expand"  minOccurs="0"/>
+      <element type="double"  name="right_buffer"  minOccurs="0"/>
+      <element type="double"  name="right_buffer_u"  minOccurs="0"/>
+      <element type="double"  name="right_buffer_v"  minOccurs="0"/>
+      <element type="double"  name="left_start"  minOccurs="0"/>
+      <element type="double"  name="left_expand"  minOccurs="0"/>
+      <element type="double"  name="left_buffer"  minOccurs="0"/>
+      <element type="double"  name="left_buffer_u"  minOccurs="0"/>
+      <element type="double"  name="left_buffer_v"  minOccurs="0"/>
+    </sequence>
+  </complexType> 
+</schema>
diff --git a/qeschema/schemas/releases/qes_neb-211101.xsd b/qeschema/schemas/releases/qes_neb-211101.xsd
new file mode 100644
index 0000000..3fc29f2
--- /dev/null
+++ b/qeschema/schemas/releases/qes_neb-211101.xsd
@@ -0,0 +1,165 @@
+<?xml version="1.0"?>
+<!--
+Copyright (c), 2016, Quantum Espresso Foundation. All rights reserved.
+This file is distributed under the terms of the MIT License. See the
+file 'LICENSE' in the root directory of the present distribution, or
+http://opensource.org/licenses/MIT.
+Authors: Paolo Giannozzi, Pietro Delugas
+-->
+<schema xmlns="http://www.w3.org/2001/XMLSchema"
+        xmlns:qes="http://www.quantum-espresso.org/ns/qes/qes-1.0"
+        xmlns:neb="http://www.quantum-espresso.org/ns/neb"
+        targetNamespace="http://www.quantum-espresso.org/ns/neb" version="development">
+<import id="qes" namespace="http://www.quantum-espresso.org/ns/qes/qes-1.0"  schemaLocation="qes_211101.xsd"/>
+    <element name="nebRun" type="neb:NebRunType"/>
+    <complexType name="NebRunType">
+        <sequence>
+            <element name="GeneralInfo" type="qes:general_infoType" minOccurs="0"/>
+            <element name="ParallelInfo" type="neb:nebPInfoType" minOccurs="0"/>
+            <element name="input" type="neb:nebInputType" minOccurs="1" maxOccurs="1"/>
+            <element name="nebStep" type="neb:nebStepType" minOccurs="0" maxOccurs="unbounded" />
+            <element name="nebOutput" type="neb:nebOutputType" minOccurs="0" maxOccurs="1"/>
+            <element type="nonNegativeInteger" name="CpuTime" minOccurs="0"/>
+            <element type="qes:statusType" name="status" minOccurs="0" />
+            <element type="qes:closedType" name="closed" minOccurs="0"/>
+        </sequence>
+    </complexType>
+    <complexType name="nebPInfoType">
+        <sequence>
+            <element type="positiveInteger" name="nimages"/>
+            <element type="qes:parallel_infoType" name="parallelInfo"/>
+        </sequence>
+    </complexType>
+
+    <complexType name="nebInputType">
+        <sequence>
+            <element name="path"    type="neb:pathInputType"/>
+            <element name="engine"  type="neb:engineInputType"/>
+        </sequence>
+    </complexType>
+
+    <complexType name="pathInputType">
+        <sequence>
+            <element name="stringMethod" type="neb:stringMethodType"/>
+            <element type="qes:controlRestartModeType" name="restart_mode" maxOccurs="1" default="from_scratch"/>
+            <element type="positiveInteger" name="pathNstep" maxOccurs="1" minOccurs="1"/>
+            <element type="positiveInteger" name="numOfImages" minOccurs ="0"/>
+            <element name="optimizationScheme" type="neb:optimizationSchemeType" minOccurs="1" maxOccurs="1"/>
+            <element name="climbingImage" type="neb:climbingImageType" maxOccurs="1" default="no-CI"/>
+            <element name="endImagesOptimizationFlag" type="boolean" maxOccurs="1" default="false"/>
+            <element name="minimumImageFlag" type="boolean" maxOccurs="1" default="false"/>
+            <element name="temperature" type="double" minOccurs="0" maxOccurs="1" />
+            <element name="optimizationStepLength" type="double" minOccurs="1" maxOccurs="1" />
+            <element name="pathThreshold" type="double"/>
+            <element name="elasticConstMax" type="double" minOccurs="1" maxOccurs="1" />
+            <element name="elasticConstMin" type="double" minOccurs="1" maxOccurs="1"/>
+            <element name="useMassesFlag" type="boolean" default="false" maxOccurs="1"/>
+            <element name="useFreezingFlag" type="boolean" default="false" maxOccurs="1"/>
+            <element name="constantBiasFlag" type="boolean" default="false" minOccurs="0" maxOccurs="1"/>
+            <element name="targetFermiEnergy" type="double" minOccurs="0" maxOccurs="1"/>
+            <element name="totChargeFirst" type="double" minOccurs="0" maxOccurs="1"/>
+            <element name="totChargeLast" type="double" minOccurs="0" maxOccurs="1" />
+            <element name="climbingImageIndex" type="positiveInteger" minOccurs="0" maxOccurs="unbounded"/>
+        </sequence>
+    </complexType>
+    <complexType name="engineInputType">
+        <sequence>
+            <element type="qes:control_variablesType" name="control_variables"/>
+            <element type="qes:atomic_speciesType" name="atomic_species" />
+            <element name="atomic_structure" type="qes:atomic_structureType" minOccurs="2" maxOccurs="unbounded"/>
+            <element type="qes:dftType" name="dft"/>
+            <element type="qes:spinType" name="spin" />
+            <element type="qes:bandsType" name="bands"/>
+            <element type="qes:basisType" name="basis"/>
+            <element type="qes:electron_controlType" name="electron_control"/>
+            <element type="qes:k_points_IBZType" name="k_points_IBZ"/>
+	    <element type="qes:ion_controlType" name="ion_control" minOccurs="0" maxOccurs="1" />
+	    <element type="qes:cell_controlType" name="cell_control" minOccurs="0" maxOccurs="1"/>
+            <element type="qes:symmetry_flagsType" name="symmetry_flags" minOccurs="0" />
+            <element type="qes:boundary_conditionsType" name="boundary_conditions" minOccurs="0" />
+            <element type="qes:ekin_functionalType" name="ekin_functional" minOccurs="0" />
+            <element type="qes:matrixType" name="external_atomic_forces" minOccurs="0" />
+            <element type="qes:integerMatrixType" name="free_positions" minOccurs="0" />
+            <element type="qes:matrixType" name="starting_atomic_velocities" minOccurs="0" />
+            <element type="qes:electric_fieldType" name="electric_field" minOccurs="0" />
+            <element type="qes:atomic_constraintsType" name="atomic_constraints" minOccurs="0" />
+            <element type="qes:spin_constraintsType" name="spin_constraints" minOccurs="0" />
+        </sequence>
+    </complexType>
+
+    <complexType name="nebStepType">
+        <sequence>
+            <element name="Iteration" type="positiveInteger"/>
+            <element name="ActivationEnergyForward" type="double" />
+            <element name="ActivationEnergyBack" type="double"/>
+            <element name="Bead" type="neb:nebBeadType" maxOccurs="unbounded"/>
+            <element name="pathLength" type="double"/>
+            <element name="InterBeadDistance" type="double"/>
+        </sequence>
+    </complexType>
+    <complexType name="nebOutputType">
+        <sequence>
+            <element name="finalNebStep" type="neb:nebStepType"/>
+            <element name="nebControl" type="neb:engineInputType"  />
+            <element name="nebPlot" type="neb:plotType"/>
+            <element name="finalImageGradient" type="neb:imageGradientType" maxOccurs="unbounded"/>
+        </sequence>
+    </complexType>
+
+    <complexType name="imageGradientType">
+        <sequence>
+            <element name="imageNumber" type="positiveInteger"/>
+            <element name="gradient" type="qes:matrixType"/>
+        </sequence>
+    </complexType>
+    <complexType name="plotType">
+        <sequence>
+            <element name="Abscissae" type="qes:vectorType"/>
+            <element name="Ordinates" type="qes:vectorType"/>
+        </sequence>
+    </complexType>
+    <complexType name="nebBeadType">
+        <sequence>
+            <element name="ImageIndex" type="positiveInteger"/>
+            <element name="Energy" type="double"/>
+            <element name="Error" type="double"/>
+            <element name="FrozenFlag" type="boolean"/>
+            <element name="Structure" type="qes:atomic_structureType"/>
+        </sequence>
+    </complexType>
+
+    <simpleType name="stringMethodType">
+        <restriction base="string">
+            <enumeration value="neb"/>
+            <enumeration value="smd"/>
+        </restriction>
+    </simpleType>
+    <simpleType name="optimizationSchemeType">
+        <restriction base="string">
+            <enumeration value="sd"/>
+            <enumeration value="broyden"/>
+            <enumeration value="broyden2"/>
+            <enumeration value="quick-min"/>
+            <enumeration value="langevin"/>
+        </restriction>
+    </simpleType>
+    <simpleType name="climbingImageType">
+        <restriction base="string">
+            <enumeration value="no-CI"/>
+            <enumeration value="auto"/>
+            <enumeration value="manual"/>
+        </restriction>
+    </simpleType>
+    <complexType name="manyPosStructType">
+        <sequence>
+            <choice minOccurs="2" maxOccurs="unbounded">
+                <element type="qes:atomic_positionsType" name="atomic_positions" minOccurs="2" maxOccurs="unbounded" />
+                <element type="qes:wyckoff_positionsType" name="wyckoff_positions" minOccurs="0" maxOccurs="unbounded" />
+            </choice>
+            <element type="qes:cellType" name="cell"/>
+        </sequence>
+        <attribute type="positiveInteger" name="nat" />
+        <attribute type="double" name="alat" use="optional"/>
+        <attribute type="positiveInteger" name="bravais_index" use="optional"/>
+    </complexType>
+</schema>
diff --git a/requirements-dev.txt b/requirements-dev.txt
index a956eb8..4c85cd8 100644
--- a/requirements-dev.txt
+++ b/requirements-dev.txt
@@ -1,6 +1,6 @@
 # Requirements for setup a development environment for the qeschema package.
 setuptools
-tox
+tox>=4.0
 flake8
 coverage
 xmlschema>=1.6.4
diff --git a/scripts/xml2qeinput.py b/scripts/xml2qeinput.py
index 3e3975b..c4f1cb9 100755
--- a/scripts/xml2qeinput.py
+++ b/scripts/xml2qeinput.py
@@ -26,6 +26,8 @@ def parse_args():
     parser.add_argument("-v", "--verbosity", action="count", default=1,
                         help="Increase output verbosity.")
     parser.add_argument('-in', metavar='FILE', required=True, help="XML input filename.")
+    parser.add_argument('-schema', metavar='FILE', required=False,
+                        help="Specify XSD schema in input", default=None)
     return parser.parse_args()
 
 
@@ -49,21 +51,24 @@ def parse_args():
     qeschema.set_logger(args.verbosity)
 
     input_fn = getattr(args, 'in')
+    schema_fn = getattr(args, 'schema', None)
     tree = Etree.parse(input_fn)
     root = tree.getroot()
     element_name = root.tag.split('}')[-1]
     if element_name == 'espresso':
-        xml_document = qeschema.PwDocument()
+        xml_document = qeschema.PwDocument(source=input_fn, schema=schema_fn)
     elif element_name == 'nebRun':
-        xml_document = qeschema.NebDocument()
+        xml_document = qeschema.NebDocument(source=input_fn, schema=schema_fn)
     elif element_name == 'espressoph':
-        xml_document = qeschema.PhononDocument()
+        xml_document = qeschema.PhononDocument(source=input_fn, schema=schema_fn)
     elif element_name == 'tddfpt':
-        xml_document = qeschema.TdDocument()
+        xml_document = qeschema.TdDocument(source=input_fn, schema=schema_fn)
     elif element_name == 'spectrumDoc':
-        xml_document = qeschema.TdSpectrumDocument()
+        xml_document = qeschema.TdSpectrumDocument(source=input_fn, schema=schema_fn)
     elif element_name == 'xspectra':
-        xml_document = qeschema.XSpectraDocument()
+        xml_document = qeschema.XSpectraDocument(source=input_fn, schema=schema_fn)
+    elif element_name == 'epw':
+        xml_document = qeschema.EPWDocument(souce=input_fn, schema=schema_fn)
     else:
         sys.stderr.write("Could not find correct XML in %s, exiting...\n" % input_fn)
         sys.exit(1)
@@ -71,7 +76,6 @@ def parse_args():
     root = None
     tree = None
 
-    xml_document.read(input_fn)
     qe_in = xml_document.get_fortran_input()
 
     input_fn_name, input_fn_ext = os.path.splitext(input_fn)
diff --git a/setup.py b/setup.py
index 2a68998..fdf3a6b 100644
--- a/setup.py
+++ b/setup.py
@@ -15,7 +15,7 @@
 
 setup(
     name='qeschema',
-    version='1.4.0',
+    version='1.5.0',
     install_requires=['xmlschema>=1.6.4', 'numpy'],
     extras_require={
         'HDF5': ['h5py'],
@@ -41,6 +41,7 @@
         'Programming Language :: Python :: 3.8',
         'Programming Language :: Python :: 3.9',
         'Programming Language :: Python :: 3.10',
+        'Programming Language :: Python :: 3.11',
         'Programming Language :: Python :: Implementation :: CPython',
         'Topic :: Scientific/Engineering :: Physics',
         'Topic :: Utilities',
diff --git a/tests/resources/epw/epw_test1.in.test b/tests/resources/epw/epw_test1.in.test
new file mode 100644
index 0000000..2f94af4
--- /dev/null
+++ b/tests/resources/epw/epw_test1.in.test
@@ -0,0 +1,25 @@
+diamond
+&inputepw
+ amass(1)= 12.011
+ dis_frox_max=7.0
+ dis_win_max=12.0
+ elph=.true.
+ epbwrite=.true.
+ epwread=.false.
+ iprint=0
+ iverbosity=0
+ mp_mesh_k=.false.
+ nbndsub=4
+ nk1=3
+ nk2=3
+ nk3=3
+ nq1=3
+ nq2=3
+ nq3=3
+ num_iter=300
+ outdir='./'
+ prefix='diam'
+ proj(1)='f=0,0,0:l=3'
+ wannier_plot=.false.
+ wannierize=.true.
+/
\ No newline at end of file
diff --git a/tests/resources/epw/epw_test1.xml b/tests/resources/epw/epw_test1.xml
new file mode 100644
index 0000000..be90c9b
--- /dev/null
+++ b/tests/resources/epw/epw_test1.xml
@@ -0,0 +1,35 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<epw:epw xsi:schemaLocation="https://epw-code.org/ns/epw-0.1 ../../../qeschema/schemas/epw.xsd"
+xmlns:epw="https://epw-code.org/ns/epw-0.1"
+xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
+<input>
+    <control_variables>
+        <title>diamond</title>
+        <prefix>diam</prefix>
+        <outdir>./</outdir>
+        <iverbosity>0</iverbosity>
+        <elph>true</elph>
+        <epbwrite>true</epbwrite>
+        <epwread>false</epwread>
+        <nbndsub>4</nbndsub>
+        <amass atom="1">12.01078</amass>
+        <nq1>3</nq1>
+        <nq2>3</nq2>
+        <nq3>3</nq3>
+        <nk1>3</nk1>
+        <nk2>3</nk2>
+        <nk3>3</nk3>
+        <mp_mesh_k>false</mp_mesh_k>
+        <wannierize>true</wannierize>
+    </control_variables>
+    <wannier90>
+        <num_iter>300</num_iter>
+        <dis_win_max>12</dis_win_max>
+        <dis_froz_max>7</dis_froz_max>
+        <proj atom="1">f=0,0,0:l=3</proj>
+        <iprint>0</iprint>
+        <wannier_plot>false</wannier_plot>
+    </wannier90>
+</input> 
+
+</epw:epw> 
diff --git a/tests/resources/epw/epw_test2.in.test b/tests/resources/epw/epw_test2.in.test
new file mode 100644
index 0000000..5c784af
--- /dev/null
+++ b/tests/resources/epw/epw_test2.in.test
@@ -0,0 +1,39 @@
+sic
+&inputepw
+ amass(2)= 12.011
+ amass(1)= 28.085
+ dis_frox_max=7.0
+ dis_win_max=12.0
+ elph=.true.
+ epbread=.false.
+ epbwrite=.true.
+ epwread=.false.
+ epwwrite=.true.
+ etcmem=1
+ iprint=2
+ iverbosity=0
+ lphase=.true.
+ lpolar=.true.
+ mp_mesh_k=.false.
+ nbndsub=4
+ nk1=3
+ nk2=3
+ nk3=3
+ nq1=3
+ nq2=3
+ nq3=3
+ num_iter=300
+ outdir='./'
+ prefix='sic'
+ proj(1)='Si:sp3'
+ vme='dipole'
+ wannier_plot=.true.
+ wannierize=.true.
+ wdata(1) = 'bands_plot = .true.'
+ wdata(2) = 'begin kpoint_path'
+ wdata(3) = 'L 0.50 0.00 0.00 G 0.00 0.00 0.00'
+ wdata(4) = 'G 0.00 0.00 0.00 X 0.50 0.50 0.00'
+ wdata(5) = 'end kpoint_path'
+ wdata6 = 'bands_plot_format = gnuplot'
+ wdata(7) = 'use_ws_distance = T'
+/
diff --git a/tests/resources/epw/epw_test2.xml b/tests/resources/epw/epw_test2.xml
new file mode 100644
index 0000000..bc33615
--- /dev/null
+++ b/tests/resources/epw/epw_test2.xml
@@ -0,0 +1,50 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<epw:epw xsi:schemaLocation="https://epw-code.org/ns/epw-0.1 ../../../qeschema/schemas/epw.xsd"
+xmlns:epw="https://epw-code.org/ns/epw-0.1"
+xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
+<input>
+    <control_variables>
+        <title>sic</title>
+        <prefix>sic</prefix>
+        <outdir>./</outdir>
+        <iverbosity>0</iverbosity>
+        <elph>true</elph>
+        <epbread>false</epbread>
+        <epbwrite>true</epbwrite>
+	    <epwread>false</epwread> 
+	    <epwwrite>true</epwwrite>
+	    <etf_mem>1</etf_mem> 
+	    <nbndsub>4</nbndsub>
+	    <amass atom="2">12.01078</amass>
+	    <amass atom="1">28.0855</amass> 
+        <nq1>3</nq1>
+        <nq2>3</nq2>
+        <nq3>3</nq3>
+        <nk1>3</nk1>
+        <nk2>3</nk2>
+        <nk3>3</nk3>
+        <mp_mesh_k>false</mp_mesh_k>
+  	    <vme>dipole</vme> 
+	    <lphase>true</lphase>
+	    <lpolar>true</lpolar>
+        <wannierize>true</wannierize>
+    </control_variables>
+    <wannier90>
+        <num_iter>300</num_iter>
+        <dis_win_max>12</dis_win_max>
+        <dis_froz_max>7</dis_froz_max>
+        <proj atom="1">Si:sp3</proj>
+        <iprint>2</iprint>
+        <wannier_plot>true</wannier_plot>
+        <wannier_plot_list segment="1">
+            L 0.50 0.00 0.00 G 0.00 0.00 0.00
+        </wannier_plot_list>
+        <wannier_plot_list segment="2">
+            G 0.00 0.00 0.00 X 0.50 0.50 0.00
+        </wannier_plot_list>
+        <use_ws>true</use_ws>
+        <wannier_plot_format>gnuplot</wannier_plot_format>
+    </wannier90>
+</input> 
+
+</epw:epw> 
diff --git a/tests/resources/neb/Al001+H_pbc.xml b/tests/resources/neb/Al001+H_pbc.xml
index 696b4cb..af1a582 100644
--- a/tests/resources/neb/Al001+H_pbc.xml
+++ b/tests/resources/neb/Al001+H_pbc.xml
@@ -1,6 +1,6 @@
 <neb:nebRun xmlns:neb="http://www.quantum-espresso.org/ns/neb"
             xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
-            xsi:schemaLocation="http://www.quantum-espresso.org/ns/neb ../../../qeschema/schemas/qes_neb.xsd" >
+            xsi:schemaLocation="http://www.quantum-espresso.org/ns/neb releases/qes_neb-211101.xsd" >
     <input>
         <path>
             <stringMethod>neb</stringMethod>
diff --git a/tests/resources/neb/Al001_plus_H_bc3.xml b/tests/resources/neb/Al001_plus_H_bc3.xml
index 45b0766..98c223f 100644
--- a/tests/resources/neb/Al001_plus_H_bc3.xml
+++ b/tests/resources/neb/Al001_plus_H_bc3.xml
@@ -1,6 +1,6 @@
 <neb:nebRun xmlns:neb="http://www.quantum-espresso.org/ns/neb"
             xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
-            xsi:schemaLocation="http://www.quantum-espresso.org/ns/neb ../../../qeschema/schemas/qes_neb.xsd" >
+            xsi:schemaLocation="http://www.quantum-espresso.org/ns/neb releases/qes_neb-211101.xsd" >
     <input>
         <path>
             <stringMethod>neb</stringMethod>
diff --git a/tests/resources/neb/H2+H.xml b/tests/resources/neb/H2+H.xml
index e9ba45a..9304426 100644
--- a/tests/resources/neb/H2+H.xml
+++ b/tests/resources/neb/H2+H.xml
@@ -1,6 +1,6 @@
 <neb:nebRun xmlns:neb="http://www.quantum-espresso.org/ns/neb"
             xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
-            xsi:schemaLocation="http://www.quantum-espresso.org/ns/neb ../../../qeschema/schemas/qes_neb.xsd" >
+            xsi:schemaLocation="http://www.quantum-espresso.org/ns/neb releases/qes_neb-211101.xsd" >
     <input>
         <path>
             <stringMethod>neb</stringMethod>
diff --git a/tests/resources/neb/H2+H_crystal.xml b/tests/resources/neb/H2+H_crystal.xml
index 243f80d..03a8f2b 100644
--- a/tests/resources/neb/H2+H_crystal.xml
+++ b/tests/resources/neb/H2+H_crystal.xml
@@ -1,6 +1,6 @@
 <neb:nebRun xmlns:neb="http://www.quantum-espresso.org/ns/neb"
             xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
-            xsi:schemaLocation="file:///home/pietro/qexsd-gh/qespresso/scheme/qes_neb.xsd" >
+            xsi:schemaLocation="http://www.quantum-espresso.org/ns/neb   releases/qes_neb-211101.xsd" >
     <input>
         <path>
             <stringMethod>neb</stringMethod>
diff --git a/tests/resources/neb/periodic_dft_65_WaterP1_0_neb_0.xml b/tests/resources/neb/periodic_dft_65_WaterP1_0_neb_0.xml
index 1ad46f4..e0ed02e 100644
--- a/tests/resources/neb/periodic_dft_65_WaterP1_0_neb_0.xml
+++ b/tests/resources/neb/periodic_dft_65_WaterP1_0_neb_0.xml
@@ -1,6 +1,6 @@
 <neb:nebRun xmlns:neb="http://www.quantum-espresso.org/ns/neb"
 xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
-xsi:schemaLocation="http://www.quantum-espresso.org/ns/qes/qes-1.0 ../qespresso/scheme/qes_neb.xsd">
+xsi:schemaLocation="http://www.quantum-espresso.org/ns/qes/qes-1.0 releases/qes_neb-211101.xsd">
 <input>
 <path>
 <stringMethod>neb</stringMethod>
diff --git a/tests/resources/pw/FeO_LDAU_standard.in.test b/tests/resources/pw/FeO_LDAU_standard.in.test
index 714795a..52596af 100644
--- a/tests/resources/pw/FeO_LDAU_standard.in.test
+++ b/tests/resources/pw/FeO_LDAU_standard.in.test
@@ -26,7 +26,7 @@
  ibrav=0
  input_dft='PZ'
  lda_plus_u = .true.
- lda_plus_u_kind=0
+ lda_plus_u_kind = 0
  lspinorb=.false.
  nat=4
  nbnd=20
@@ -43,7 +43,7 @@
  starting_magnetization(2)=0.5
  starting_magnetization(3)=-0.5
  tot_charge=0.0
- U_projection_type='atomic'
+ U_projection_type = 'atomic'
  use_all_frac=.false.
 /
 &ELECTRONS
diff --git a/tests/resources/pw/FeO_LDAU_standard_230310.in.test b/tests/resources/pw/FeO_LDAU_standard_230310.in.test
new file mode 100644
index 0000000..c0159d7
--- /dev/null
+++ b/tests/resources/pw/FeO_LDAU_standard_230310.in.test
@@ -0,0 +1,88 @@
+&CONTROL
+ calculation='scf'
+ disk_io='low'
+ etot_conv_thr=0.0001
+ forc_conv_thr=0.001
+ input_xml_schema_file='FeO_LDAU_standard_230310.xml'
+ iprint=100000
+ max_seconds=10000000
+ outdir='/scratch/pdelugas/espresso-xsd/tempdir/'
+ prefix='feo_af'
+ pseudo_dir='/scratch/pdelugas/espresso-xsd/pseudo/'
+ restart_mode='from_scratch'
+ title='FeO_LDA+U'
+ tprnfor=.true.
+ tstress=.true.
+ verbosity='low'
+ wf_collect=.false.
+/
+&SYSTEM
+ degauss=0.01
+ ecutrho=240.0
+ ecutwfc=30.0
+ force_symmorphic=.false.
+ ibrav=0
+ input_dft='PZ'
+ lspinorb=.false.
+ nat=4
+ nbnd=20
+ no_t_rev=.false.
+ noinv=.false.
+ noncolin=.false.
+ nosym=.false.
+ nosym_evc=.false.
+ nspin=2
+ ntyp=3
+ occupations='smearing'
+ smearing='gaussian'
+ starting_magnetization(1)=0.0
+ starting_magnetization(2)=0.5
+ starting_magnetization(3)=-0.5
+ tot_charge=0.0
+ use_all_frac=.false.
+/
+&ELECTRONS
+ conv_thr=1e-06
+ diago_cg_maxiter=20
+ diago_full_acc=.false.
+ diago_thr_init=0.0
+ diagonalization='davidson'
+ electron_maxstep=100
+ mixing_beta=0.3
+ mixing_mode='plain'
+ mixing_ndim=8
+ tbeta_smoothing=.false.
+ tq_smoothing=.false.
+ tqr=.false.
+/
+&IONS
+ ion_dynamics='none'
+ refold_pos=.false.
+ remove_rigid_rot=.false.
+/
+&CELL
+ cell_dynamics='none'
+ cell_factor=0.0
+ press=0.0
+ press_conv_thr=0.5
+ wmass=3645.777
+/
+ATOMIC_SPECIES
+ O1 1.0 O.pz-rrkjus.UPF
+ Fe1 1.0 Fe.pz-nd-rrkjus.UPF
+ Fe2 1.0 Fe.pz-nd-rrkjus.UPF
+ATOMIC_POSITIONS bohr
+O1     0.50000000    0.50000000    0.50000000
+O1     1.50000000    1.50000000    1.50000000
+Fe1    0.00000000    0.00000000    0.00000000
+Fe2    1.00000000    1.00000000    1.00000000
+K_POINTS automatic
+ 2 2 2 0 0 0
+CELL_PARAMETERS bohr
+  0.50000000   0.50000000   1.00000000 
+  0.50000000   1.00000000   0.50000000 
+  1.00000000   0.50000000   0.50000000 
+HUBBARD atomic
+U  Fe1-3d     0.316
+U  Fe2-3d     0.326
+J0  Fe2-3d     0.410
\ No newline at end of file
diff --git a/tests/resources/pw/FeO_LDAU_standard_230310.xml b/tests/resources/pw/FeO_LDAU_standard_230310.xml
new file mode 100644
index 0000000..9b8e833
--- /dev/null
+++ b/tests/resources/pw/FeO_LDAU_standard_230310.xml
@@ -0,0 +1,258 @@
+<qes:espresso xmlns:qes="http://www.quantum-espresso.org/ns/qes/qes-1.0"
+              xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+	xsi:schemaLocation="http://www.quantum-espresso.org/ns/qes/qes-1.0 qes_230310.xsd">
+  <input>
+    <control_variables>
+      <title>FeO_LDA+U</title>
+      <calculation>scf</calculation>
+      <restart_mode>from_scratch</restart_mode>
+      <prefix>feo_af</prefix>
+      <pseudo_dir>/scratch/pdelugas/espresso-xsd/pseudo/</pseudo_dir>
+      <outdir>/scratch/pdelugas/espresso-xsd/tempdir/</outdir>
+      <stress>
+          true
+      </stress>
+      <forces>
+         true
+      </forces>
+      <wf_collect>
+         false
+      </wf_collect>
+      <disk_io>low</disk_io>
+      <max_seconds>
+         10000000
+      </max_seconds>
+      <etot_conv_thr>
+       0.1000000E-03
+      </etot_conv_thr>
+      <forc_conv_thr>
+       0.1000000E-02
+      </forc_conv_thr>
+      <press_conv_thr>
+       0.5000000E+00
+      </press_conv_thr>
+      <verbosity>low</verbosity>
+      <print_every>
+      100000
+      </print_every>
+      <fcp>false</fcp> 
+      <rism>false</rism>
+    </control_variables>
+    <atomic_species ntyp="3">
+      <species name="O1">
+        <mass>
+       0.1000000E+01
+        </mass>
+        <pseudo_file>O.pz-rrkjus.UPF</pseudo_file>
+        <starting_magnetization>
+       0.0000000E+00
+        </starting_magnetization>
+      </species>
+      <species name="Fe1">
+        <mass>
+       0.1000000E+01
+        </mass>
+        <pseudo_file>Fe.pz-nd-rrkjus.UPF</pseudo_file>
+        <starting_magnetization>
+       0.5000000E+00
+        </starting_magnetization>
+      </species>
+      <species name="Fe2">
+        <mass>
+       0.1000000E+01
+        </mass>
+        <pseudo_file>Fe.pz-nd-rrkjus.UPF</pseudo_file>
+        <starting_magnetization>
+      -0.5000000E+00
+        </starting_magnetization>
+      </species>
+    </atomic_species>
+    <atomic_structure nat="4" alat="8.190000000000000E+000">
+      <atomic_positions>
+        <atom name="O1">
+       0.5000000E+00       0.5000000E+00       0.5000000E+00
+        </atom>
+        <atom name="O1">
+       0.1500000E+01       0.1500000E+01       0.1500000E+01
+        </atom>
+        <atom name="Fe1">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </atom>
+        <atom name="Fe2">
+       0.1000000E+01       0.1000000E+01       0.1000000E+01
+        </atom>
+      </atomic_positions>
+      <cell>
+        <a1>
+       0.5000000E+00       0.5000000E+00       0.1000000E+01
+        </a1>
+        <a2>
+       0.5000000E+00       0.1000000E+01       0.5000000E+00
+        </a2>
+        <a3>
+       0.1000000E+01       0.5000000E+00       0.5000000E+00
+        </a3>
+      </cell>
+    </atomic_structure>
+    <dft>
+      <functional>PZ</functional>
+      <dftU new_format="true">
+        <lda_plus_u_kind>0</lda_plus_u_kind>
+        <Hubbard_U specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_U>
+        <Hubbard_U specie="Fe1" label="3d">
+       0.3160442E+00
+        </Hubbard_U>
+        <Hubbard_U specie="Fe2" label="3d">
+       0.3260442E+00
+        </Hubbard_U>
+        <Hubbard_J0 specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_J0>
+        <Hubbard_J0 specie="Fe1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_J0>
+        <Hubbard_J0 specie="Fe2" label="3d">
+       0.41
+        </Hubbard_J0>
+        <Hubbard_alpha specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_alpha>
+        <Hubbard_alpha specie="Fe1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_alpha>
+        <Hubbard_alpha specie="Fe2" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_alpha>
+        <Hubbard_beta specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_beta>
+        <Hubbard_beta specie="Fe1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_beta>
+        <Hubbard_beta specie="Fe2" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_beta>
+        <Hubbard_J specie="O1" label="no Hubbard">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </Hubbard_J>
+        <Hubbard_J specie="Fe1" label="no Hubbard">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </Hubbard_J>
+        <Hubbard_J specie="Fe2" label="no Hubbard">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </Hubbard_J>
+        <U_projection_type>atomic</U_projection_type>
+      </dftU>
+    </dft>
+    <spin>
+      <lsda>
+        true
+      </lsda>
+      <noncolin>
+        false
+      </noncolin>
+      <spinorbit>
+            false
+      </spinorbit>
+    </spin>
+    <bands>
+      <nbnd>
+          20
+      </nbnd>
+      <smearing degauss="1.000000000000000E-002">gaussian</smearing>
+      <tot_charge>
+       0.0000000E+00
+      </tot_charge>
+      <occupations>smearing</occupations>
+    </bands>
+    <basis>
+      <ecutwfc>
+       0.3000000E+02
+      </ecutwfc>
+      <ecutrho>
+       0.2400000E+03
+      </ecutrho>
+    </basis>
+    <electron_control>
+      <diagonalization>davidson</diagonalization>
+      <mixing_mode>plain</mixing_mode>
+      <mixing_beta>
+       0.3000000E+00
+      </mixing_beta>
+      <conv_thr>
+       0.1000000E-05
+      </conv_thr>
+      <mixing_ndim>
+           8
+      </mixing_ndim>
+      <max_nstep>
+         100
+      </max_nstep>
+      <real_space_q>
+         false
+      </real_space_q>
+        <tq_smoothing>false</tq_smoothing>
+        <tbeta_smoothing>false</tbeta_smoothing>
+      <diago_thr_init>
+       0.0000000E+00
+      </diago_thr_init>
+      <diago_full_acc>
+         false
+      </diago_full_acc>
+      <diago_cg_maxiter>
+          20
+      </diago_cg_maxiter>
+    </electron_control>
+    <k_points_IBZ>
+      <monkhorst_pack nk1="2" nk2="2" nk3="2" k1="0" k2="0" k3="0">
+              Monckhort-Pack
+      </monkhorst_pack>
+    </k_points_IBZ>
+    <ion_control>
+      <ion_dynamics>none</ion_dynamics>
+      <remove_rigid_rot>
+         false
+      </remove_rigid_rot>
+      <refold_pos>
+         false
+      </refold_pos>
+    </ion_control>
+    <cell_control>
+      <cell_dynamics>none</cell_dynamics>
+        <pressure>0.0</pressure>
+      <wmass>
+       0.3645777E+04
+      </wmass>
+      <cell_factor>
+       0.0000000E+00
+      </cell_factor>
+      <free_cell dims ="3 3" rank="2" >
+          1 1 1
+          1 1 1
+          1 1 1
+      </free_cell>
+    </cell_control>
+    <symmetry_flags>
+      <nosym>
+        false
+      </nosym>
+      <nosym_evc>
+          false
+      </nosym_evc>
+      <noinv>
+        false
+      </noinv>
+      <no_t_rev>
+         false
+      </no_t_rev>
+      <force_symmorphic>
+          false
+      </force_symmorphic>
+      <use_all_frac>
+         false
+      </use_all_frac>
+    </symmetry_flags>
+  </input>
+</qes:espresso>
diff --git a/tests/resources/pw/FeO_LDAU_with_no_U.in.test b/tests/resources/pw/FeO_LDAU_with_no_U.in.test
index e9b3d80..5796094 100644
--- a/tests/resources/pw/FeO_LDAU_with_no_U.in.test
+++ b/tests/resources/pw/FeO_LDAU_with_no_U.in.test
@@ -26,7 +26,7 @@
  ibrav=0
  input_dft='PZ'
  lda_plus_u = .true.
- lda_plus_u_kind=0
+ lda_plus_u_kind = 0
  lspinorb=.false.
  nat=4
  nbnd=20
@@ -43,7 +43,7 @@
  starting_magnetization(2)=0.5
  starting_magnetization(3)=-0.5
  tot_charge=0.0
- U_projection_type='atomic'
+ U_projection_type = 'atomic'
  use_all_frac=.false.
 /
 &ELECTRONS
diff --git a/tests/resources/pw/FeO_LDAU_with_no_U_230310.in.test b/tests/resources/pw/FeO_LDAU_with_no_U_230310.in.test
new file mode 100644
index 0000000..3be8faa
--- /dev/null
+++ b/tests/resources/pw/FeO_LDAU_with_no_U_230310.in.test
@@ -0,0 +1,87 @@
+&CONTROL
+ calculation='scf'
+ disk_io='low'
+ etot_conv_thr=0.0001
+ forc_conv_thr=0.001
+ input_xml_schema_file='FeO_LDAU_with_no_U_230310.xml'
+ iprint=100000
+ max_seconds=10000000
+ outdir='/scratch/pdelugas/espresso-xsd/tempdir/'
+ prefix='feo_af'
+ pseudo_dir='/scratch/pdelugas/espresso-xsd/pseudo/'
+ restart_mode='from_scratch'
+ title='FeO_LDA+U=0'
+ tprnfor=.true.
+ tstress=.true.
+ verbosity='low'
+ wf_collect=.false.
+/
+&SYSTEM
+ degauss=0.01
+ ecutrho=240.0
+ ecutwfc=30.0
+ force_symmorphic=.false.
+ ibrav=0
+ input_dft='PZ'
+ lspinorb=.false.
+ nat=4
+ nbnd=20
+ no_t_rev=.false.
+ noinv=.false.
+ noncolin=.false.
+ nosym=.false.
+ nosym_evc=.false.
+ nspin=2
+ ntyp=3
+ occupations='smearing'
+ smearing='gaussian'
+ starting_magnetization(1)=0.0
+ starting_magnetization(2)=0.5
+ starting_magnetization(3)=-0.5
+ tot_charge=0.0
+ use_all_frac=.false.
+/
+&ELECTRONS
+ conv_thr=1e-06
+ diago_cg_maxiter=20
+ diago_full_acc=.false.
+ diago_thr_init=0.0
+ diagonalization='davidson'
+ electron_maxstep=100
+ mixing_beta=0.3
+ mixing_mode='plain'
+ mixing_ndim=8
+ tbeta_smoothing=.false.
+ tq_smoothing=.false.
+ tqr=.false.
+/
+&IONS
+ ion_dynamics='none'
+ refold_pos=.false.
+ remove_rigid_rot=.false.
+/
+&CELL
+ cell_dynamics='none'
+ cell_factor=0.0
+ press=0.0
+ press_conv_thr=0.5
+ wmass=3645.777
+/
+ATOMIC_SPECIES
+ O1 1.0 O.pz-rrkjus.UPF
+ Fe1 1.0 Fe.pz-nd-rrkjus.UPF
+ Fe2 1.0 Fe.pz-nd-rrkjus.UPF
+ATOMIC_POSITIONS bohr
+O1     0.50000000    0.50000000    0.50000000
+O1     1.50000000    1.50000000    1.50000000
+Fe1    0.00000000    0.00000000    0.00000000
+Fe2    1.00000000    1.00000000    1.00000000
+K_POINTS automatic
+ 2 2 2 0 0 0
+CELL_PARAMETERS bohr
+  0.50000000   0.50000000   1.00000000 
+  0.50000000   1.00000000   0.50000000 
+  1.00000000   0.50000000   0.50000000 
+HUBBARD atomic
+U  Fe1-3d     0.000
+U  Fe2-3d     0.000
\ No newline at end of file
diff --git a/tests/resources/pw/FeO_LDAU_with_no_U_230310.xml b/tests/resources/pw/FeO_LDAU_with_no_U_230310.xml
new file mode 100644
index 0000000..41b17ad
--- /dev/null
+++ b/tests/resources/pw/FeO_LDAU_with_no_U_230310.xml
@@ -0,0 +1,262 @@
+<qes:espresso xmlns:qes="http://www.quantum-espresso.org/ns/qes/qes-1.0"
+              xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+              xsi:schemaLocation="http://www.quantum-espresso.org/ns/qes/qes-1.0 qes_230310.xsd">
+  <input>
+    <control_variables>
+      <title>FeO_LDA+U=0</title>
+      <calculation>scf</calculation>
+      <restart_mode>from_scratch</restart_mode>
+      <prefix>feo_af</prefix>
+      <pseudo_dir>/scratch/pdelugas/espresso-xsd/pseudo/</pseudo_dir>
+      <outdir>/scratch/pdelugas/espresso-xsd/tempdir/</outdir>
+      <stress>
+            true
+      </stress>
+      <forces>
+            true
+      </forces>
+      <wf_collect>
+            false
+      </wf_collect>
+      <disk_io>low</disk_io>
+      <max_seconds>
+    10000000
+      </max_seconds>
+      <etot_conv_thr>
+       0.1000000E-03
+      </etot_conv_thr>
+      <forc_conv_thr>
+       0.1000000E-02
+      </forc_conv_thr>
+      <press_conv_thr>
+       0.5000000E+00
+      </press_conv_thr>
+      <verbosity>low</verbosity>
+      <print_every>
+      100000
+      </print_every>
+      <fcp>false</fcp>
+      <rism>false</rism>
+    </control_variables>
+    <atomic_species ntyp="3">
+      <species name="O1">
+        <mass>
+       0.1000000E+01
+        </mass>
+        <pseudo_file>O.pz-rrkjus.UPF</pseudo_file>
+        <starting_magnetization>
+       0.0000000E+00
+        </starting_magnetization>
+      </species>
+      <species name="Fe1">
+        <mass>
+       0.1000000E+01
+        </mass>
+        <pseudo_file>Fe.pz-nd-rrkjus.UPF</pseudo_file>
+        <starting_magnetization>
+       0.5000000E+00
+        </starting_magnetization>
+      </species>
+      <species name="Fe2">
+        <mass>
+       0.1000000E+01
+        </mass>
+        <pseudo_file>Fe.pz-nd-rrkjus.UPF</pseudo_file>
+        <starting_magnetization>
+      -0.5000000E+00
+        </starting_magnetization>
+      </species>
+    </atomic_species>
+    <atomic_structure nat="4" alat="8.190000000000000E+000">
+      <atomic_positions>
+        <atom name="O1">
+       0.5000000E+00       0.5000000E+00       0.5000000E+00
+        </atom>
+        <atom name="O1">
+       0.1500000E+01       0.1500000E+01       0.1500000E+01
+        </atom>
+        <atom name="Fe1">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </atom>
+        <atom name="Fe2">
+       0.1000000E+01       0.1000000E+01       0.1000000E+01
+        </atom>
+      </atomic_positions>
+      <cell>
+        <a1>
+       0.5000000E+00       0.5000000E+00       0.1000000E+01
+        </a1>
+        <a2>
+       0.5000000E+00       0.1000000E+01       0.5000000E+00
+        </a2>
+        <a3>
+       0.1000000E+01       0.5000000E+00       0.5000000E+00
+        </a3>
+      </cell>
+    </atomic_structure>
+    <dft>
+      <functional>PZ</functional>
+      <dftU new_format="true">
+        <lda_plus_u_kind>0</lda_plus_u_kind>
+        <Hubbard_U specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_U>
+        <Hubbard_U specie="Fe1" label="3d">
+       0.7349865E-09
+        </Hubbard_U>
+        <Hubbard_U specie="Fe2" label="3d">
+       0.7349865E-09
+        </Hubbard_U>
+        <Hubbard_J0 specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_J0>
+        <Hubbard_J0 specie="Fe1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_J0>
+        <Hubbard_J0 specie="Fe2" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_J0>
+        <Hubbard_alpha specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_alpha>
+        <Hubbard_alpha specie="Fe1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_alpha>
+        <Hubbard_alpha specie="Fe2" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_alpha>
+        <Hubbard_beta specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_beta>
+        <Hubbard_beta specie="Fe1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_beta>
+        <Hubbard_beta specie="Fe2" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_beta>
+        <Hubbard_J specie="O1" label="no Hubbard">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </Hubbard_J>
+        <Hubbard_J specie="Fe1" label="no Hubbard">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </Hubbard_J>
+        <Hubbard_J specie="Fe2" label="no Hubbard">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </Hubbard_J>
+        <U_projection_type>atomic</U_projection_type>
+      </dftU>
+    </dft>
+    <spin>
+      <lsda>
+        true
+      </lsda>
+      <noncolin>
+          false
+      </noncolin>
+      <spinorbit>
+          false
+      </spinorbit>
+    </spin>
+    <bands>
+      <nbnd>
+          20
+      </nbnd>
+      <smearing degauss="1.000000000000000E-002">gaussian</smearing>
+      <tot_charge>
+       0.0000000E+00
+      </tot_charge>
+      <occupations>
+            smearing
+      </occupations>
+    </bands>
+    <basis>
+      <ecutwfc>
+       0.3000000E+02
+      </ecutwfc>
+      <ecutrho>
+       0.2400000E+03
+      </ecutrho>
+    </basis>
+    <electron_control>
+      <diagonalization>davidson</diagonalization>
+      <mixing_mode>plain</mixing_mode>
+      <mixing_beta>
+       0.3000000E+00
+      </mixing_beta>
+      <conv_thr>
+       0.1000000E-05
+      </conv_thr>
+      <mixing_ndim>
+           8
+      </mixing_ndim>
+      <max_nstep>
+         100
+      </max_nstep>
+      <real_space_q>
+          false
+      </real_space_q>
+        <tq_smoothing>false</tq_smoothing>
+        <tbeta_smoothing>false</tbeta_smoothing>
+      <diago_thr_init>
+       0.0000000E+00
+      </diago_thr_init>
+      <diago_full_acc>
+            false
+      </diago_full_acc>
+      <diago_cg_maxiter>
+          20
+      </diago_cg_maxiter>
+    </electron_control>
+    <k_points_IBZ>
+      <monkhorst_pack nk1="2" nk2="2" nk3="2" k1="0" k2="0" k3="0">
+Monckhort-Pack
+      </monkhorst_pack>
+    </k_points_IBZ>
+    <ion_control>
+      <ion_dynamics>
+none
+      </ion_dynamics>
+      <remove_rigid_rot>
+        false
+      </remove_rigid_rot>
+      <refold_pos>
+        false
+      </refold_pos>
+    </ion_control>
+    <cell_control>
+      <cell_dynamics>none</cell_dynamics>
+      <pressure>0.00</pressure>
+      <wmass>
+       0.3645777E+04
+      </wmass>
+      <cell_factor>
+       0.0000000E+00
+      </cell_factor>
+      <free_cell rank="2" dims="3 3">
+          1 1 1
+          1 1 1
+          1 1 1
+      </free_cell>
+    </cell_control>
+    <symmetry_flags>
+      <nosym>
+        false
+      </nosym>
+      <nosym_evc>
+        false
+      </nosym_evc>
+      <noinv>
+        false
+      </noinv>
+      <no_t_rev>
+        false
+      </no_t_rev>
+      <force_symmorphic>
+        false
+      </force_symmorphic>
+      <use_all_frac>
+        false
+      </use_all_frac>
+    </symmetry_flags>
+  </input>
+</qes:espresso>
diff --git a/tests/resources/pw/FeO_LDAU_with_starting_ns.in.test b/tests/resources/pw/FeO_LDAU_with_starting_ns.in.test
index c93b01d..30f9cad 100644
--- a/tests/resources/pw/FeO_LDAU_with_starting_ns.in.test
+++ b/tests/resources/pw/FeO_LDAU_with_starting_ns.in.test
@@ -26,7 +26,7 @@
  ibrav=0
  input_dft='PZ'
  lda_plus_u = .true.
- lda_plus_u_kind=0
+ lda_plus_u_kind = 0
  lspinorb=.false.
  nat=4
  nbnd=20
@@ -45,7 +45,7 @@
  starting_ns_eigenvalue(3,1,3)=1.0
  starting_ns_eigenvalue(3,2,2)=1.0
  tot_charge=0.0
- U_projection_type='atomic'
+ U_projection_type = 'atomic'
  use_all_frac=.false.
 /
 &ELECTRONS
diff --git a/tests/resources/pw/FeO_LDAU_with_starting_ns_230210.in.test b/tests/resources/pw/FeO_LDAU_with_starting_ns_230210.in.test
new file mode 100644
index 0000000..70c5509
--- /dev/null
+++ b/tests/resources/pw/FeO_LDAU_with_starting_ns_230210.in.test
@@ -0,0 +1,99 @@
+&CONTROL
+ calculation='scf'
+ disk_io='low'
+ etot_conv_thr=0.0001
+ forc_conv_thr=0.001
+ input_xml_schema_file='FeO_LDAU_with_starting_ns_230210.xml'
+ iprint=100000
+ max_seconds=10000000
+ outdir='./'
+ prefix='pwscf'
+ pseudo_dir='/u/cm/pdelugas/espresso/pseudo/'
+ restart_mode='from_scratch'
+ title='uffa'
+ tprnfor=.false.
+ tstress=.false.
+ verbosity='low'
+ wf_collect=.false.
+/
+&SYSTEM
+ degauss=0.01
+ ecutrho=240.0
+ ecutwfc=30.0
+ force_symmorphic=.false.
+ ibrav=0
+ input_dft='PZ'
+ lspinorb=.false.
+ nat=4
+ nbnd=20
+ no_t_rev=.false.
+ noinv=.false.
+ noncolin=.false.
+ nosym=.false.
+ nosym_evc=.false.
+ nspin=2
+ ntyp=3
+ occupations='smearing'
+ smearing='gaussian'
+ starting_magnetization(1)=0.0
+ starting_magnetization(2)=0.5
+ starting_magnetization(3)=-0.5
+ starting_ns_eigenvalue(3,1,3)=1.0
+ starting_ns_eigenvalue(3,2,2)=1.0
+ tot_charge=0.0
+ use_all_frac=.false.
+/
+&ELECTRONS
+ conv_thr=1e-08
+ diago_cg_maxiter=20
+ diago_full_acc=.false.
+ diago_thr_init=0.0
+ diagonalization='davidson'
+ electron_maxstep=100
+ mixing_beta=0.3
+ mixing_mode='plain'
+ mixing_ndim=8
+ tbeta_smoothing=.false.
+ tq_smoothing=.false.
+ tqr=.false.
+/
+&IONS
+ ion_dynamics='none'
+ refold_pos=.false.
+ remove_rigid_rot=.false.
+/
+&CELL
+ cell_dynamics='none'
+ cell_factor=0.0
+ press=0.0
+ press_conv_thr=0.5
+ wmass=3645.777
+/
+ATOMIC_SPECIES
+ O1 1.0 O.pz-rrkjus.UPF
+ Fe1 1.0 Fe.pz-nd-rrkjus.UPF
+ Fe2 1.0 Fe.pz-nd-rrkjus.UPF
+ATOMIC_POSITIONS bohr
+O1     4.09500000    4.09500000    4.09500000
+O1    12.28500000   12.28500000   12.28500000
+Fe1    0.00000000    0.00000000    0.00000000
+Fe2    8.19000000    8.19000000    8.19000000
+K_POINTS automatic
+ 2 2 2 0 0 0
+CELL_PARAMETERS bohr
+  4.09500000   4.09500000   8.19000000 
+  4.09500000   8.19000000   4.09500000 
+  8.19000000   4.09500000   4.09500000 
+HUBBARD atomic
+U  Fe1-3d     0.316
+U  Fe2-3d     0.316
+J0  Fe1-3d     0.000
+J0  Fe2-3d     0.000
+alpha  Fe1-3d     0.000
+alpha  Fe2-3d     0.000
+beta  Fe1-3d     0.000
+beta  Fe2-3d     0.000
+J Fe1-3d    0.000
+B Fe1-3d    0.000
+J Fe2-3d    0.000
+B Fe2-3d    0.000
diff --git a/tests/resources/pw/FeO_LDAU_with_starting_ns_230210.xml b/tests/resources/pw/FeO_LDAU_with_starting_ns_230210.xml
new file mode 100644
index 0000000..655cd7c
--- /dev/null
+++ b/tests/resources/pw/FeO_LDAU_with_starting_ns_230210.xml
@@ -0,0 +1,242 @@
+<qes:espresso xmlns:qes="http://www.quantum-espresso.org/ns/qes/qes-1.0"
+              xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+	xsi:schemaLocation="http://www.quantum-espresso.org/ns/qes/qes-1.0 qes_230310.xsd">
+  <input>
+    <control_variables>
+      <title>uffa</title>
+      <calculation>scf</calculation>
+      <restart_mode>from_scratch</restart_mode>
+      <prefix>pwscf</prefix>
+      <pseudo_dir>/u/cm/pdelugas/espresso/pseudo/</pseudo_dir>
+      <outdir>./</outdir>
+      <stress>false</stress>
+      <forces>false</forces>
+      <wf_collect>false</wf_collect>
+      <disk_io>low</disk_io>
+      <max_seconds>
+    10000000
+      </max_seconds>
+      <etot_conv_thr>
+       0.1000000E-03
+      </etot_conv_thr>
+      <forc_conv_thr>
+       0.1000000E-02
+      </forc_conv_thr>
+      <press_conv_thr>
+       0.5000000E+00
+      </press_conv_thr>
+      <verbosity>low</verbosity>
+      <print_every>
+      100000
+      </print_every>
+      <fcp>false</fcp>
+      <rism>false</rism>
+    </control_variables>
+    <atomic_species ntyp="3">
+      <species name="O1">
+        <mass>
+       0.1000000E+01
+        </mass>
+        <pseudo_file>O.pz-rrkjus.UPF</pseudo_file>
+        <starting_magnetization>
+       0.0000000E+00
+        </starting_magnetization>
+      </species>
+      <species name="Fe1">
+        <mass>
+       0.1000000E+01
+        </mass>
+        <pseudo_file>Fe.pz-nd-rrkjus.UPF</pseudo_file>
+        <starting_magnetization>
+       0.5000000E+00
+        </starting_magnetization>
+      </species>
+      <species name="Fe2">
+        <mass>
+       0.1000000E+01
+        </mass>
+        <pseudo_file>Fe.pz-nd-rrkjus.UPF</pseudo_file>
+        <starting_magnetization>
+      -0.5000000E+00
+        </starting_magnetization>
+      </species>
+    </atomic_species>
+    <atomic_structure nat="4" alat="1.003066049669711E+001">
+      <atomic_positions>
+        <atom name="O1">
+       0.4095000E+01       0.4095000E+01       0.4095000E+01
+        </atom>
+        <atom name="O1">
+       0.1228500E+02       0.1228500E+02       0.1228500E+02
+        </atom>
+        <atom name="Fe1">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </atom>
+        <atom name="Fe2">
+       0.8190000E+01       0.8190000E+01       0.8190000E+01
+        </atom>
+      </atomic_positions>
+      <cell>
+        <a1>
+       0.4095000E+01       0.4095000E+01       0.8190000E+01
+        </a1>
+        <a2>
+       0.4095000E+01       0.8190000E+01       0.4095000E+01
+        </a2>
+        <a3>
+       0.8190000E+01       0.4095000E+01       0.4095000E+01
+        </a3>
+      </cell>
+    </atomic_structure>
+    <dft>
+      <functional>PZ</functional>
+      <dftU new_format="true">
+        <lda_plus_u_kind>0</lda_plus_u_kind>
+        <Hubbard_U specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_U>
+        <Hubbard_U specie="Fe1" label="3d">
+       0.3160442E+00
+        </Hubbard_U>
+        <Hubbard_U specie="Fe2" label="3d">
+       0.3160442E+00
+        </Hubbard_U>
+        <Hubbard_J0 specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_J0>
+        <Hubbard_J0 specie="Fe1" label="3d">
+       0.0000000E+00
+        </Hubbard_J0>
+        <Hubbard_J0 specie="Fe2" label="3d">
+       0.0000000E+00
+        </Hubbard_J0>
+        <Hubbard_alpha specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_alpha>
+        <Hubbard_alpha specie="Fe1" label="3d">
+       0.0000000E+00
+        </Hubbard_alpha>
+        <Hubbard_alpha specie="Fe2" label="3d">
+       0.0000000E+00
+        </Hubbard_alpha>
+        <Hubbard_beta specie="O1" label="no Hubbard">
+       0.0000000E+00
+        </Hubbard_beta>
+        <Hubbard_beta specie="Fe1" label="3d">
+       0.0000000E+00
+        </Hubbard_beta>
+        <Hubbard_beta specie="Fe2" label="3d">
+       0.0000000E+00
+        </Hubbard_beta>
+        <Hubbard_J specie="O1" label="no Hubbard">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </Hubbard_J>
+        <Hubbard_J specie="Fe1" label="3d">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </Hubbard_J>
+        <Hubbard_J specie="Fe2" label="3d">
+       0.0000000E+00       0.0000000E+00       0.0000000E+00
+        </Hubbard_J>
+        <starting_ns size="5" specie="O1" label="no Hubbard" spin="1">
+      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01
+        </starting_ns>
+        <starting_ns size="5" specie="Fe1" label="3d" spin="1">
+      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01
+        </starting_ns>
+        <starting_ns size="5" specie="Fe2" label="3d" spin="1">
+      -0.1000000E+01      -0.1000000E+01       0.1000000E+01      -0.1000000E+01      -0.1000000E+01
+        </starting_ns>
+        <starting_ns size="5" specie="O1" label="no Hubbard" spin="2">
+      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01
+        </starting_ns>
+        <starting_ns size="5" specie="Fe1" label="3d" spin="2">
+      -0.1000000E+01      -0.1000000E+01       0.1000000E+01      -0.1000000E+01      -0.1000000E+01
+        </starting_ns>
+        <starting_ns size="5" specie="Fe2" label="3d" spin="2">
+      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01      -0.1000000E+01
+        </starting_ns>
+        <U_projection_type>atomic</U_projection_type>
+      </dftU>
+    </dft>
+    <spin>
+      <lsda>true</lsda>
+      <noncolin>false</noncolin>
+      <spinorbit>false</spinorbit>
+    </spin>
+    <bands>
+      <nbnd>
+          20
+      </nbnd>
+      <smearing degauss="1.000000000000000E-002">gaussian</smearing>
+      <tot_charge>
+       0.0000000E+00
+      </tot_charge>
+      <occupations>smearing</occupations>
+    </bands>
+    <basis>
+      <ecutwfc>
+       0.3000000E+02
+      </ecutwfc>
+      <ecutrho>
+       0.2400000E+03
+      </ecutrho>
+    </basis>
+    <electron_control>
+      <diagonalization>davidson</diagonalization>
+      <mixing_mode>plain</mixing_mode>
+      <mixing_beta>
+       0.3000000E+00
+      </mixing_beta>
+      <conv_thr>
+       0.1000000E-07
+      </conv_thr>
+      <mixing_ndim>
+           8
+      </mixing_ndim>
+      <max_nstep>
+         100
+      </max_nstep>
+      <real_space_q>false</real_space_q>
+        <tq_smoothing>false</tq_smoothing>
+        <tbeta_smoothing>false</tbeta_smoothing>
+      <diago_thr_init>
+       0.0000000E+00
+      </diago_thr_init>
+      <diago_full_acc>false</diago_full_acc>
+      <diago_cg_maxiter>
+          20
+      </diago_cg_maxiter>
+    </electron_control>
+    <k_points_IBZ>
+      <monkhorst_pack nk1="2" nk2="2" nk3="2" k1="0" k2="0" k3="0">Monkhorst-Pack</monkhorst_pack>
+    </k_points_IBZ>
+    <ion_control>
+      <ion_dynamics>none</ion_dynamics>
+      <remove_rigid_rot>false</remove_rigid_rot>
+      <refold_pos>false</refold_pos>
+    </ion_control>
+    <cell_control>
+      <cell_dynamics>none</cell_dynamics>
+        <pressure>0.0</pressure>
+      <wmass>
+       0.3645777E+04
+      </wmass>
+      <cell_factor>
+       0.0000000E+00
+      </cell_factor>
+      <free_cell rank="2" dims="3 3">
+    1    1    1
+    1    1    1
+    1    1    1
+      </free_cell>
+    </cell_control>
+    <symmetry_flags>
+      <nosym>false</nosym>
+      <nosym_evc>false</nosym_evc>
+      <noinv>false</noinv>
+      <no_t_rev>false</no_t_rev>
+      <force_symmorphic>false</force_symmorphic>
+      <use_all_frac>false</use_all_frac>
+    </symmetry_flags>
+  </input>
+</qes:espresso>
diff --git a/tests/test_cards.py b/tests/test_cards.py
index fe20e58..747d99e 100755
--- a/tests/test_cards.py
+++ b/tests/test_cards.py
@@ -153,16 +153,20 @@ def test_get_atomic_constraints_card(self):
                                           'when building CONSTRAINTS card!'])
 
         result = get_atomic_constraints_card(
-            'CONSTRAINTS', num_of_constraints=1, tolerance=0.2, atomic_constraints=[]
-        )
+                'CONSTRAINTS', **{'atomic_constraints': {'num_of_constraints': 1,
+                                                         'tolerance': 0.2,
+                                                         'atomic_constraint': []}})
         self.assertListEqual(result, ['CONSTRAINTS', '1 0.2'])
         result = get_atomic_constraints_card(
-            'CONSTRAINTS', num_of_constraints=1, tolerance=0.2, atomic_constraints=[{
-                'constr_parms': [0.2, 0.3, 0.1, 0.9],
-                'constr_type': 'test_constraint',
-                'constr_target': 0.3,
-            }]
-        )
+                'CONSTRAINTS',
+                **{'atomic_constraints': {'num_of_constraints': 1, 'tolerance': 0.2,
+                                          'atomic_constraint': [
+                                             {'constr_parms': [0.2, 0.3, 0.1, 0.9],
+                                              'constr_type': 'test_constraint',
+                                              'constr_target': 0.3
+                                              }]
+                                          }
+                   })
         self.assertListEqual(result, ['CONSTRAINTS', '1 0.2',
                                       'test_constraint 0.2 0.3 0.1 0.9 0.3'])
 
diff --git a/tests/test_converters.py b/tests/test_converters.py
index cec5136..fce3d00 100755
--- a/tests/test_converters.py
+++ b/tests/test_converters.py
@@ -43,6 +43,8 @@ def test(self):
             xml_conf = qeschema.TdSpectrumDocument(source=xml_file)
         elif element_name == 'xspectra':
             xml_conf = qeschema.XSpectraDocument(source=xml_file)
+        elif element_name == 'epw':
+            xml_conf = qeschema.EPWDocument(source=xml_file)
         else:
             raise ValueError("XML file %r is not a Quantum ESPRESSO document!" % xml_file)
 
diff --git a/tox.ini b/tox.ini
index 2406d3e..88be00f 100644
--- a/tox.ini
+++ b/tox.ini
@@ -4,9 +4,8 @@
 # and then run "tox" from this directory.
 
 [tox]
-envlist = py{37,38,39,310}, docs, flake8, coverage
+envlist = py{37,38,39,310,311}, docs, flake8, coverage
 skip_missing_interpreters = true
-toxworkdir = {homedir}/.tox/qeschema
 
 [testenv]
 deps =
@@ -18,7 +17,7 @@ deps =
     docs: sphinx_rtd_theme
     coverage: coverage
 commands = python -m unittest
-whitelist_externals = make
+allowlist_externals = make
 
 [testenv:docs]
 commands =