diff --git a/dev_scripts/extract_den.py b/dev_scripts/extract_den.py
index 7bed6e42..34482129 100755
--- a/dev_scripts/extract_den.py
+++ b/dev_scripts/extract_den.py
@@ -27,8 +27,9 @@ def parse_and_generate_fc(path):
         if os.path.isfile(ae_path):
             print("Warning: Cannot overwrite existent file:", ae_path)
             return 1
-        #fc_file, ae_file = open(fc_path, "wt"), open(ae_path, "wt")
-        fc_file, ae_file = sys.stdout, sys.stdout
+
+        fc_file, ae_file = open(fc_path, "wt"), open(ae_path, "wt")
+        #fc_file, ae_file = sys.stdout, sys.stdout
         psp8_get_densities(path, fc_file=fc_file, ae_file=ae_file)
         #fc_file.close()
         #ae_file.close()
@@ -48,4 +49,4 @@ def parse_and_generate_fc(path):
 
 
 if __name__ == "__main__":
-    sys.exit(main())
\ No newline at end of file
+    sys.exit(main())
diff --git a/pseudo_dojo/core/atom.py b/pseudo_dojo/core/atom.py
index bdf3130e..73a4d22b 100644
--- a/pseudo_dojo/core/atom.py
+++ b/pseudo_dojo/core/atom.py
@@ -1,9 +1,12 @@
 # coding: utf-8
 """This module provides objects and helper functions for atomic calculations."""
+from __future__ import annotations
+
 import collections
 import numpy as np
 
 from io import StringIO
+from typing import Any, List, Union, Optional, Iterable, Tuple
 from pseudo_dojo.refdata.nist import database as nist_database
 from scipy.interpolate import UnivariateSpline
 from scipy.integrate import cumtrapz
@@ -22,8 +25,6 @@
     "plot_logders",
 ]
 
-# Helper functions
-
 _char2l = {
     "s": 0,
     "p": 1,
@@ -35,14 +36,14 @@
 }
 
 
-def _asl(obj):
+def _asl(obj: Any) -> int:
     try:
         return _char2l[obj]
     except KeyError:
         return int(obj)
 
 
-def states_from_string(confstr: str):
+def states_from_string(confstr: str) -> List[QState]:
     """
     Parse a string with an atomic configuration and build a list of `QState` instance.
     """
@@ -57,7 +58,7 @@ def states_from_string(confstr: str):
     return states
 
 
-def parse_orbtoken(orbtoken: str):
+def parse_orbtoken(orbtoken: str) -> QState:
     import re
     m = re.match(r"(\d+)([spdfghi]+)(\d+)", orbtoken.strip())
     if m:
@@ -68,9 +69,9 @@ def parse_orbtoken(orbtoken: str):
 
 class NlkState(collections.namedtuple("NlkState", "n, l, k")):
     """
-    Named tuple storing (n,l) or (n,l,k) for relativistic pseudos.
+    Named tuple storing (n,l) or (n,l,k) if relativistic pseudos.
     """
-    def __str__(self):
+    def __str__(self) -> str:
         if self.k is None:
             return "n=%i, l=%i" % (self.n, self.l)
         else:
@@ -98,26 +99,15 @@ class QState(collections.namedtuple("QState", "n, l, occ, eig, j, s")):
     # TODO
     # Spin +1, -1 or 1,2 or 0,1?
 
-    def __new__(cls, n, l, occ, eig=None, j=None, s=None):
+    def __new__(cls, n: int, l: int, occ: float,
+                eig: Optional[float] = None,
+                j: Optional[int] = None,
+                s: Optional[int] = None):
         """Intercepts super.__new__ adding type conversion and default values."""
         eig = float(eig) if eig is not None else eig
         j = int(j) if j is not None else j
         s = int(s) if s is not None else s
-        return super(QState, cls).__new__(cls, int(n), _asl(l), float(occ), eig=eig, j=j, s=s)
-
-    # Rich comparison support.
-    # Note that the ordering is based on the quantum numbers and not on energies!
-    #def __gt__(self, other):
-    #    if self.has_j:
-    #        raise NotImplementedError("")
-    #    if self.n != other.n: return self.n > other.n
-    #    if self.l != other.l
-
-    #    if self == other:
-    #        return False
-    #    else:
-    #        raise RuntimeError("Don't know how to compare %s with %s" % (self, other))
-    #def __lt__(self, other):
+        return super().__new__(cls, int(n), _asl(l), float(occ), eig=eig, j=j, s=s)
 
     @property
     def has_j(self) -> bool:
@@ -128,9 +118,11 @@ def has_s(self) -> bool:
         return self.s is not None
 
 
-class AtomicConfiguration(object):
-    """Atomic configuration defining the all-electron atom."""
-    def __init__(self, Z, states):
+class AtomicConfiguration:
+    """
+    Atomic configuration of an all-electron atom.
+    """
+    def __init__(self, Z: int, states: List[QState]) -> None:
         """
         Args:
             Z: Atomic number.
@@ -140,7 +132,8 @@ def __init__(self, Z, states):
         self.states = states
 
     @classmethod
-    def from_string(cls, Z, string, has_s=False, has_j=False):
+    def from_string(cls, Z: int, string: str,
+                    has_s: bool = False, has_j: bool = False) -> AtomicConfiguration:
         if not has_s and not has_j:
             # Ex: [He] 2s2 2p3
             states = states_from_string(string)
@@ -149,29 +142,29 @@ def from_string(cls, Z, string, has_s=False, has_j=False):
 
         return cls(Z, states)
 
-    def __str__(self):
+    def __str__(self) -> str:
         lines = ["%s: " % self.Z]
         lines += [str(state) for state in self]
         return "\n".join(lines)
 
-    def __len__(self):
+    def __len__(self) -> int:
         return len(self.states)
 
-    def __iter__(self):
+    def __iter__(self) -> Iterable:
         return self.states.__iter__()
 
-    def __eq__(self, other):
+    def __eq__(self, other: AtomicConfiguration) -> bool:
         if len(self.states) != len(other.states):
             return False
 
         return (self.Z == other.Z and
                 all(s1 == s2 for s1, s2 in zip(self.states, other.states)))
 
-    def __ne__(self, other):
+    def __ne__(self, other: AtomicConfiguration) -> bool:
         return not self == other
 
     @classmethod
-    def neutral_from_symbol(cls, symbol):
+    def neutral_from_symbol(cls, symbol: Union[str, int]) -> AtomicConfiguration:
         """
         symbol: str or int
             Can be a chemical symbol (str) or an atomic number (int).
@@ -180,17 +173,17 @@ def neutral_from_symbol(cls, symbol):
         states = [QState(n=s[0], l=s[1], occ=s[2]) for s in entry.states]
         return cls(entry.Z, states)
 
-    def copy(self):
+    def copy(self) -> AtomicConfiguration:
         """Shallow copy of self."""
         return AtomicConfiguration(self.Z, [s for s in self.states])
 
     @property
-    def symbol(self):
+    def symbol(self) -> str:
         """Chemical symbol"""
         return nist_database.symbol_from_Z(self.Z)
 
     @property
-    def spin_mode(self):
+    def spin_mode(self) -> str:
         """
         unpolarized: Spin-unpolarized calculation.
         polarized: Spin-polarized calculation.
@@ -202,12 +195,12 @@ def spin_mode(self):
         return "unpolarized"
 
     @property
-    def echarge(self):
-        """Electronic charge (float <0)."""
+    def echarge(self) -> float:
+        """Electronic charge (float < 0 )."""
         return -sum(state.occ for state in self)
 
     @property
-    def isneutral(self):
+    def isneutral(self) -> bool:
         """True if self is a neutral configuration."""
         return abs(self.echarge + self.Z) < 1.e-8
 
@@ -232,8 +225,10 @@ def _pop(self, state):
             raise
 
 
-class RadialFunction(object):
-    """A RadialFunction has a name, a radial mesh and values defined on this mesh."""
+class RadialFunction:
+    """
+    A RadialFunction has a name, a radial mesh and values defined on this mesh.
+    """
 
     def __init__(self, name: str, rmesh, values):
         """
@@ -248,7 +243,7 @@ def __init__(self, name: str, rmesh, values):
         assert len(self.rmesh) == len(self.values)
 
     @classmethod
-    def from_filename(cls, filename: str, rfunc_name=None, cols=(0, 1)):
+    def from_filename(cls, filename: str, rfunc_name=None, cols=(0, 1)) -> RadialFunction:
         """
         Initialize the object reading data from filename (txt format).
 
@@ -262,20 +257,20 @@ def from_filename(cls, filename: str, rfunc_name=None, cols=(0, 1)):
         name = filename if rfunc_name is None else rfunc_name
         return cls(name, rmesh, values)
 
-    def __len__(self):
+    def __len__(self) -> int:
         return len(self.values)
 
-    def __iter__(self):
+    def __iter__(self) -> Iterable:
         """Iterate over (rpoint, value)."""
         return iter(zip(self.rmesh, self.values))
 
     def __getitem__(self, rslice):
         return self.rmesh[rslice], self.values[rslice]
 
-    def __repr__(self):
+    def __repr__(self) -> str:
         return "<%s, name=%s at %s>" % (self.__class__.__name__, self.name, id(self))
 
-    def __str__(self):
+    def __str__(self) -> str:
         stream = StringIO()
         self.pprint(stream=stream)
         return stream.getvalue()
@@ -284,7 +279,7 @@ def __str__(self):
     #def __sub__(self, other):
     #def __mul__(self, other):
 
-    def __abs__(self):
+    def __abs__(self) -> RadialFunction:
         return self.__class__(self.rmesh, np.abs(self.values))
 
     @property
@@ -295,7 +290,7 @@ def to_dict(self) -> dict:
             values=list(self.values),
         )
 
-    def pprint(self, what: str = "rmesh+values", stream=None):
+    def pprint(self, what: str = "rmesh+values", stream=None) -> None:
         """pprint method (useful for debugging)"""
         from pprint import pprint
         if "rmesh" in what:
@@ -307,17 +302,17 @@ def pprint(self, what: str = "rmesh+values", stream=None):
             pprint(self.values, stream=stream)
 
     @property
-    def rmax(self):
+    def rmax(self) -> float:
         """Outermost point of the radial mesh."""
         return self.rmesh[-1]
 
     @property
-    def rsize(self):
+    def rsize(self) -> float:
         """Size of the radial mesh."""
         return len(self.rmesh)
 
     @property
-    def minmax_ridx(self):
+    def minmax_ridx(self) -> Tuple[int, int]:
         """
         Returns the indices of the values in a list with the maximum and minimum value.
         """
@@ -326,8 +321,10 @@ def minmax_ridx(self):
         return minimum[0], maximum[0]
 
     @property
-    def inodes(self):
-        """"List with the index of the nodes of the radial function."""
+    def inodes(self) -> List[int]:
+        """"
+        List with the index of the nodes of the radial function.
+        """
         inodes = []
         for i in range(len(self.values)-1):
             if self.values[i] * self.values[i+1] <= 0:
@@ -352,7 +349,7 @@ def derivatives(self, r):
         """Return all derivatives of the spline at the point r."""
         return self.spline.derivatives(r)
 
-    def integral(self):
+    def integral(self) -> RadialFunction:
         r"""
         Cumulatively integrate y(x) using the composite trapezoidal rule.
 
@@ -369,6 +366,7 @@ def integral(self):
     def integral3d(self, a=None, b=None):
         """
         Return definite integral of the spline of (r**2 values**2) between two given points a and b
+
         Args:
             a: First point. rmesh[0] if a is None
             b: Last point. rmesh[-1] if a is None
@@ -380,17 +378,19 @@ def integral3d(self, a=None, b=None):
         return r2v2_spline.integral(a, b)
 
     def ifromr(self, rpoint):
-        """The index of the point."""
+        """
+        The index of the point in the radial mesh.
+        """
         for (i, r) in enumerate(self.rmesh):
             if r > rpoint:
-                return i-1
+                return i - 1
 
         if rpoint == self.rmesh[-1]:
             return len(self.rmesh)
         else:
             raise ValueError("Cannot find %s in rmesh" % rpoint)
 
-    def ir_small(self, abs_tol=0.01):
+    def ir_small(self, abs_tol: float = 0.01) -> int:
         """
         Returns the rightmost index where the abs value of the wf becomes greater than abs_tol
 
@@ -425,7 +425,7 @@ def r2f_integral(self):
         pad_intg[1:] = integ
         return pad_intg
 
-    def get_intr2j0(self, ecut, numq=3001):
+    def get_intr2j0(self, ecut: float, numq: float = 3001):
         r"""
         Compute 4\pi\int[(\frac{\sin(2\pi q r)}{2\pi q r})(r^2 n(r))dr].
         """
diff --git a/pseudo_dojo/ppcodes/oncvpsp.py b/pseudo_dojo/ppcodes/oncvpsp.py
index 086a4148..dbc3e088 100644
--- a/pseudo_dojo/ppcodes/oncvpsp.py
+++ b/pseudo_dojo/ppcodes/oncvpsp.py
@@ -1,5 +1,9 @@
 # coding: utf-8
-"""Classes and functions for post-processing the results produced by ONCVPSP."""
+"""
+Classes and functions for post-processing the results produced by ONCVPSP.
+"""
+from __future__ import annotations
+
 import io
 import os
 import abc
@@ -7,8 +11,10 @@
 import numpy as np
 
 from collections import namedtuple, OrderedDict
+from typing import Any, Union
 from monty.functools import lazy_property
 from monty.collections import AttrDict, dict2namedtuple
+from monty.os.path import which
 from monty.termcolor import cprint
 from abipy.tools.plotting import add_fig_kwargs, get_ax_fig_plt
 from abipy.tools.derivatives import finite_diff
@@ -29,8 +35,8 @@
 }
 
 
-def is_integer(s):
-    """True if s in an integer."""
+def is_integer(s: Any) -> bool:
+    """True if object `s` in an integer."""
     try:
         c = float(s)
         return int(c) == c
@@ -39,7 +45,9 @@ def is_integer(s):
 
 
 def decorate_ax(ax, xlabel, ylabel, title, lines, legends):
-    """Decorate a `matplotlib` Axis adding xlabel, ylabel, title, grid and legend"""
+    """
+    Decorate a `matplotlib` Axis adding xlabel, ylabel, title, grid and legend
+    """
     ax.set_title(title)
     ax.set_xlabel(xlabel)
     ax.set_ylabel(ylabel)
@@ -47,7 +55,7 @@ def decorate_ax(ax, xlabel, ylabel, title, lines, legends):
     ax.legend(lines, legends, loc="best", shadow=True)
 
 
-class PseudoGenDataPlotter(object):
+class PseudoGenDataPlotter:
     """
     Plots the results produced by a pseudopotential generator.
     """
@@ -169,7 +177,7 @@ def plot_projectors(self, ax=None, **kwargs):
 
         lselect = kwargs.get("lselect", [])
 
-        linestyle = {1: "solid", 2: "dashed"}
+        linestyle = {1: "solid", 2: "dashed", 3: "dotted", 4: "dashdot"}
         lines, legends = [], []
         for nlk, proj in self.projectors.items():
             #print(nlk)
@@ -359,7 +367,7 @@ def plot_den_formfact(self, ecut=60, ax=None, **kwargs):
         return fig
 
 
-class MultiPseudoGenDataPlotter(object):
+class MultiPseudoGenDataPlotter:
     """
     Class for plotting data produced by multiple pp generators on separated plots.
 
@@ -379,7 +387,7 @@ class MultiPseudoGenDataPlotter(object):
     def __init__(self):
         self._plotters_odict = OrderedDict()
 
-    def __len__(self):
+    def __len__(self) -> int:
         return len(self._plotters_odict)
 
     @property
@@ -388,11 +396,11 @@ def plotters(self):
         return list(self._plotters_odict.values())
 
     @property
-    def labels(self):
+    def labels(self) -> list:
         """List of labels."""
         return list(self._plotters_odict.keys())
 
-    def keys(self):
+    def keys(self) -> list:
         """List of strings with the quantities that can be plotted."""
         keys_set = set()
         for plotter in self.plotters:
@@ -407,12 +415,12 @@ def iter_lineopt(self):
         for o in itertools.product(self._LINE_WIDTHS,  self._LINE_STYLES, self._LINE_COLORS):
             yield {"linewidth": o[0], "linestyle": o[1], "color": o[2]}
 
-    def add_psgen(self, label, psgen):
+    def add_psgen(self, label: str, psgen) -> None:
         """Add a plotter of class plotter_class from a `PseudoGenerator` instance."""
         oparser = psgen.parse_output()
         self.add_plotter(label, oparser.make_plotter())
 
-    def add_plotter(self, label, plotter):
+    def add_plotter(self, label: str, plotter) -> None:
         """
         Adds a plotter.
 
@@ -465,6 +473,7 @@ def plot_key(self, key, **kwargs):
 
 
 class PseudoGenResults(AttrDict):
+
     _KEYS = [
         "max_ecut",
         "max_atan_logder_l1err",
@@ -480,7 +489,7 @@ def __init__(self, *args, **kwargs):
 class AtanLogDer(namedtuple("AtanLogDer", "l, energies, values")):
 
     @property
-    def to_dict(self):
+    def to_dict(self) -> dict:
         return dict(
             l=self.l,
             energies=list(self.energies),
@@ -491,7 +500,7 @@ class PseudoGenOutputParserError(Exception):
     """Exceptions raised by OuptputParser."""
 
 
-class PseudoGenOutputParser(object):
+class PseudoGenOutputParser:
     """
     Abstract class defining the interface that must be provided
     by the parsers used to extract results from the output file of
@@ -507,7 +516,7 @@ class PseudoGenOutputParser(object):
 
     Error = PseudoGenOutputParserError
 
-    def __init__(self, filepath):
+    def __init__(self, filepath: str) -> None:
         self.filepath = os.path.abspath(filepath)
         self.run_completed = False
         self._errors = []
@@ -515,12 +524,12 @@ def __init__(self, filepath):
         self._results = None
 
     @property
-    def errors(self):
+    def errors(self) -> List[str]:
         """List of strings with possible errors reported by the generator at run-time."""
         return self._errors
 
     @property
-    def warnings(self):
+    def warnings(self) -> List[str]:
         """List of strings with possible errors reported by the generator at run-time."""
         return self._warnings
 
@@ -536,11 +545,11 @@ def get_results(self):
         """
 
     @abc.abstractmethod
-    def get_input_str(self):
+    def get_input_str(self) -> str:
         """Returns a string with the input file."""
 
     @abc.abstractmethod
-    def get_pseudo_str(self):
+    def get_pseudo_str(self) -> str:
         """Returns a string with the pseudopotential file."""
 
 
@@ -580,9 +589,9 @@ class OncvOutputParser(PseudoGenOutputParser):
     # Class used to instantiate the plotter.
     Plotter = PseudoGenDataPlotter
 
-    def scan(self, verbose=0):
+    def scan(self, verbose: int = 0) -> None:
         """
-        Scan the output, set `run_completed` attribute.
+        Scan the output file, set `run_completed` attribute.
 
         Raises:
             self.Error if invalid file.
@@ -592,12 +601,17 @@ def scan(self, verbose=0):
 
         # Read data and store it in lines
         self.lines = []
-        with open(self.filepath) as fh:
+        import io
+        #with io.open(self.filepath, mode="rt", encoding="utf-8") as fh:
+        #with io.open(self.filepath, mode="rt", encoding="latin") as fh:
+        with io.open(self.filepath, "rt") as fh:
             for i, line in enumerate(fh):
+                #print(line)
                 line = line.strip()
                 self.lines.append(line)
 
-                if verbose and line.startswith("fcfact*="): print(line)
+                if verbose and line.startswith("fcfact*="):
+                    print(line)
 
                 if line.startswith("DATA FOR PLOTTING"):
                     self.run_completed = True
@@ -621,14 +635,16 @@ def scan(self, verbose=0):
         #if self.errors:
         #    return 1
 
-        #scalar-relativistic version 2.1.1, 03/26/2014
-        #scalar-relativistic version 3.0.0 10/10/2014
-        #toks, self.gendate = self.lines[1].split(",")
-        #toks = toks.split()
+        # scalar-relativistic version 2.1.1, 03/26/2014
+        # scalar-relativistic version 3.0.0 10/10/2014
+        # toks, self.gendate = self.lines[1].split(",")
+        # toks = toks.split()
         toks = self.lines[1].replace(",", " ").split()
         self.gendate = toks.pop(-1)
         self.calc_type, self.version = toks[0], toks[-1]
 
+        self.major_version, self.minor_version, self.patch_level = tuple(map(int, self.version.split(".")))
+
         fullr = self.calc_type not in ["scalar-relativistic", "non-relativistic"]
         if fullr:
             logger.info("Parsing of wavefunctions and projectors is not yet coded for fully-relativisic pseudos")
@@ -656,15 +672,17 @@ def scan(self, verbose=0):
             3    0    2.00    -3.9736459D-01
             3    1    2.00    -1.4998149D-01
 
-        full rel:
+        full rel
+        in version 4, there no difference between FR and SR
+        in version 3, the FR version has:
+
         #   n    l    f              energy (Ha)
         #   n    l    f        l+1/2             l-1/2
             1    0    2.00    -2.4703720D+03
             2    0    2.00    -4.2419865D+02
 
         """
-        #header = "#   n    l    f        energy (Ha)"
-        if fullr:
+        if fullr and self.major_version <= 3:
             header = "#   n    l    f        l+1/2             l-1/2"
         else:
             header = "#   n    l    f        energy (Ha)"
@@ -687,18 +705,20 @@ def scan(self, verbose=0):
 
                 beg, valence = i + nc + 1, []
                 for v in range(nv):
+                    #print("lines[beg+v]", self.lines[beg+v])
                     n, l, f = self.lines[beg+v].split()[:3]
                     if is_integer(f):
                         f = str(int(float(f)))
                     else:
-                        f = "%.1f" % f
+                        #print(f)
+                        f = "%.1f" % float(f)
 
                     valence.append(n + _l2char[l] + "^{%s}" % f)
                 self.valence = "$" + " ".join(valence) + "$"
                 #print("core", self.core, "valence",self.valence)
                 break
         else:
-            raise self.Error("Cannot find #lmax line in output file %s" % self.filepath)
+            raise self.Error(f"Cannot find header:\n`{header}`\nin output file {self.filepath}")
 
         # Read lmax (not very robust because we assume the user didn't change the template but oh well)
         header = "# lmax"
@@ -707,26 +727,26 @@ def scan(self, verbose=0):
                 self.lmax = int(self.lines[i+1])
                 break
         else:
-            raise self.Error("Cannot find #lmax line in output file %s" % self.filepath)
+            raise self.Error("Cannot find line with `#lmax` in output file %s" % self.filepath)
 
         # Compute the minimun rc(l)
         header = "#   l,   rc,     ep,   ncon, nbas, qcut"
         for i, line in enumerate(self.lines):
             if line.startswith(header):
                 beg = i + 1
-                next, rcs = 0, []
+                nxt, rcs = 0, []
                 while True:
-                    l = self.lines[beg + next]
+                    l = self.lines[beg + nxt]
                     if l.startswith("#"): break
                     token = l.split()[1]
                     #print("token", token)
                     rcs.append(float(token))
                     #print(l)
-                    next += 1
+                    nxt += 1
 
                 self.rc_min, self.rc_max = min(rcs), max(rcs)
 
-    def __str__(self):
+    def __str__(self) -> str:
         """String representation."""
         lines = []
         app = lines.append
@@ -741,12 +761,12 @@ def __str__(self):
         return "\n".join(lines)
 
     @property
-    def fully_relativistic(self):
+    def fully_relativistic(self) -> bool:
         """True if fully-relativistic calculation."""
         return self.calc_type == "fully-relativistic"
 
     @lazy_property
-    def potentials(self):
+    def potentials(self) -> dict:
         """Radial functions with the non-local and local potentials."""
         #radii, charge, pseudopotentials (ll=0, 1, lmax)
         #!p   0.0099448   4.7237412  -7.4449470 -14.6551019
@@ -756,7 +776,7 @@ def potentials(self):
 
         # From 0 up to lmax
         ionpots_l = {}
-        for l in range(lmax+1):
+        for l in range(lmax + 1):
             ionpots_l[l] = RadialFunction("Ion Pseudopotential, l=%d" % l, vl_data[:, 0], vl_data[:, 2+l])
 
         # Local part is stored with l == -1 if lloc=4, not present if lloc=l
@@ -767,7 +787,7 @@ def potentials(self):
         return ionpots_l
 
     @lazy_property
-    def densities(self):
+    def densities(self) -> dict:
         """
         Dictionary with charge densities on the radial mesh.
         """
@@ -844,8 +864,10 @@ def projectors(self):
         #@     0    0.009945    0.015274   -0.009284
         projectors_nlk = OrderedDict()
         beg = 0
+        magic = "@"
+        if self.major_version > 3: magic = "!J"
         while True:
-            g = self._grep("@", beg=beg)
+            g = self._grep(magic, beg=beg)
             if g.data is None: break
             beg = g.stop + 1
             # TODO: Get n, l, k from header.
@@ -878,7 +900,11 @@ def atan_logders(self):
         #!      0    2.000000    0.706765    0.703758
         ae_atan_logder_l, ps_atan_logder_l = OrderedDict(), OrderedDict()
 
-        for l in range(self.lmax+1):
+        lstop = self.lmax + 1
+        if self.major_version > 3:
+            lstop = min(self.lmax + 2, 4)
+
+        for l in range(lstop):
             data = self._grep(tag="!      %d" % l).data
             assert l == int(data[0, 0])
             ae_atan_logder_l[l] = AtanLogDer(l=l, energies=data[:, 1], values=data[:, 2])
@@ -887,7 +913,7 @@ def atan_logders(self):
         return self.AePsNamedTuple(ae=ae_atan_logder_l, ps=ps_atan_logder_l)
 
     @lazy_property
-    def ene_vs_ecut(self):
+    def ene_vs_ecut(self) -> dict:
         """Convergence of energy versus ecut for different l-values."""
         #convergence profiles, (ll=0,lmax)
         #!C     0    5.019345    0.010000
@@ -975,7 +1001,7 @@ def get_results(self):
 
         return self._results
 
-    def find_string(self, s):
+    def find_string(self, s: str) -> int:
         """
         Returns the index of the first line containing string s.
         Raise self.Error if s cannot be found.
@@ -986,7 +1012,7 @@ def find_string(self, s):
         else:
             raise self.Error("Cannot find %s in lines" % s)
 
-    def get_input_str(self):
+    def get_input_str(self) -> str:
         """String with the input file."""
         try:
             # oncvpsp 3.2.3
@@ -998,7 +1024,7 @@ def get_input_str(self):
             i = self.find_string("Reference configufation results")
             return "\n".join(self.lines[:i])
 
-    def get_psp8_str(self):
+    def get_psp8_str(self) -> Union[str, None]:
         """
         Return string with the pseudopotential data in psp8 format.
         None if field is not present.
@@ -1019,7 +1045,7 @@ def get_psp8_str(self):
 
         return ps_data
 
-    def get_upf_str(self):
+    def get_upf_str(self) -> Union[str, None]:
         """
         Return string with the pseudopotential data in upf format.
         None if field is not present.
@@ -1045,31 +1071,13 @@ def get_pseudo_str(self):
 
         raise ValueError("Cannot find neither PSPCODE8 not PSP_UPF tag in output file")
 
-        # Extract the pseudo in Abinit format.
-        try:
-            i = self.find_string('Begin PSPCODE8')
-        except self.Error:
-            try:
-                i = self.find_string('Begin PSP_UPF')
-            except self.Error:
-                raise ValueError("Cannot find neither PSPCODE8 not PSP_UPF tag in output file")
-
-        ps_data = "\n".join(self.lines[i+1:])
-
-        if "<INPUT>" not in ps_data:
-            # oncvpsp <= 3.2.2 --> Append the input to ps_data (note XML markers)
-            # oncvpsp >= 3.2.3 --> Input is already there
-            ps_data += "\n\n<INPUT>\n" + self.get_input_str() + "</INPUT>\n"
-
-        return ps_data
-
     def make_plotter(self):
         """Builds an instance of :class:`PseudoGenDataPlotter`."""
         kwargs = {k: getattr(self, k) for k in self.Plotter.all_keys}
         return self.Plotter(**kwargs)
 
     @property
-    def to_dict(self):
+    def to_dict(self) -> dict:
         """
         Returns a dictionary with the radial functions and the other
         important results produced by ONCVPSP in JSON format.
@@ -1105,7 +1113,7 @@ def to_dict(self):
 
         return jdict
 
-    def _grep(self, tag, beg=0):
+    def _grep(self, tag: str, beg: int = 0):
         """
         Finds the first field in the file with the specified tag.
         beg gives the initial position in the file.
@@ -1134,7 +1142,7 @@ def _grep(self, tag, beg=0):
         else:
             return self.GrepResults(data=np.array(data), start=intag, stop=stop)
 
-    def gnuplot(self):
+    def gnuplot(self) -> None:
         """
         Plot the results with gnuplot.
         Based on the `replot.sh` script provided by the oncvpsp code.
@@ -1167,41 +1175,119 @@ def gnuplot(self):
         os.rmdir(workdir)
 
 
-def oncv_make_open_notebook(outpath, foreground=False):
+def oncv_make_open_notebook(outpath: str,
+                            foreground: bool = False,
+                            classic_notebook: bool = False,
+                            no_browser: bool = False) -> int:  # pragma: no cover
     """
     Generate an ipython notebook and open it in the browser.
 
     Args:
         foreground: By default, jupyter is executed in background and stdout, stderr are redirected
-        to devnull. Use foreground to run the process in foreground
+            to devnull. Use foreground to run the process in foreground
+        classic_notebook: True to use the classic notebook instead of jupyter-lab (default)
+        no_browser: Start the jupyter server to serve the notebook but don't open the notebook in the browser.
+            Use this option to connect remotely from localhost to the machine running the kernel
 
-    Return:
-        system exit code.
+    Return: system exit code.
 
-    Raise:
-        RuntimeError if jupyter is not in $PATH
+    Raise: `RuntimeError` if jupyter executable is not in $PATH
     """
     nbpath = oncv_write_notebook(outpath, nbpath=None)
 
-    if foreground:
-        cmd = "jupyter notebook %s" % nbpath
-        return os.system(cmd)
+    if not classic_notebook:
+        # Use jupyter-lab.
+        app_path = which("jupyter-lab")
+        if app_path is None:
+            raise RuntimeError("""
+Cannot find jupyter-lab application in $PATH. Install it with:
+
+    conda install -c conda-forge jupyterlab
+
+or:
+
+    pip install jupyterlab
+
+See also https://jupyterlab.readthedocs.io/
+""")
 
     else:
-        cmd = "jupyter notebook %s &> /dev/null &" % nbpath
-        print("Executing:", cmd)
+        # Use classic notebook
+        app_path = which("jupyter")
+        if app_path is None:
+            raise RuntimeError("""
+Cannot find jupyter application in $PATH. Install it with:
 
-        import subprocess
-        try:
-            from subprocess import DEVNULL # py3k
-        except ImportError:
-            DEVNULL = open(os.devnull, "wb")
+    conda install -c conda-forge jupyter
+
+or:
+
+    pip install jupyterlab
+
+See also https://jupyter.readthedocs.io/en/latest/install.html
+""")
+        app_path = app_path + " notebook "
+
+    if not no_browser:
+        if foreground:
+            return os.system("%s %s" % (app_path, nbpath))
+        else:
+            fd, tmpname = tempfile.mkstemp(text=True)
+            print(tmpname)
+            cmd = "%s %s" % (app_path, nbpath)
+            print("Executing:", cmd, "\nstdout and stderr redirected to %s" % tmpname)
+            import subprocess
+            process = subprocess.Popen(cmd.split(), shell=False, stdout=fd, stderr=fd)
+            cprint("pid: %s" % str(process.pid), "yellow")
+            return 0
+
+    else:
+        # Based on https://github.com/arose/nglview/blob/master/nglview/scripts/nglview.py
+        notebook_name = os.path.basename(nbpath)
+        dirname = os.path.dirname(nbpath)
+        print("nbpath:", nbpath)
+
+        import socket
+
+        def find_free_port():
+            """https://stackoverflow.com/questions/1365265/on-localhost-how-do-i-pick-a-free-port-number"""
+            from contextlib import closing
+            with closing(socket.socket(socket.AF_INET, socket.SOCK_STREAM)) as s:
+                s.bind(('', 0))
+                s.setsockopt(socket.SOL_SOCKET, socket.SO_REUSEADDR, 1)
+                return s.getsockname()[1]
 
-        process = subprocess.Popen(cmd.split(), shell=False, stdout=DEVNULL) #, stderr=DEVNULL)
-        cprint("pid: %s" % str(process.pid), "yellow")
+        username = os.getlogin()
+        hostname = socket.gethostname()
+        port = find_free_port()
 
+        client_cmd = "ssh -NL localhost:{port}:localhost:{port} {username}@{hostname}".format(
+            username=username, hostname=hostname, port=port)
 
-def oncv_write_notebook(outpath, nbpath=None):
+        print(f"""
+Using port: {port}
+
+\033[32m In your local machine, run: \033[0m
+
+                {client_cmd}
+
+\033[32m NOTE: you might want to replace {hostname} by full hostname with domain name \033[0m
+\033[32m Then open your web browser, copy and paste the URL: \033[0m
+
+http://localhost:{port}/notebooks/{notebook_name}
+""")
+        if not classic_notebook:
+            cmd = f'{app_path} {notebook_name} --no-browser --port {port} --notebook-dir {dirname}'
+        else:
+            cmd = f'{app_path} notebook {notebook_name} --no-browser --port {port} --notebook-dir {dirname}'
+
+        print("Executing:", cmd)
+        print('NOTE: make sure to open `{}` in your local machine\n'.format(notebook_name))
+
+        return os.system(cmd)
+
+
+def oncv_write_notebook(outpath: str, nbpath: Optional[str] = None) -> str:
     """
     Write an ipython notebook to nbpath
     If nbpath is None, a temporay file is created.
@@ -1216,8 +1302,13 @@ def oncv_write_notebook(outpath, nbpath=None):
     nb.cells.extend([
         nbf.new_markdown_cell("## This is an auto-generated notebook for %s" % os.path.basename(outpath)),
         nbf.new_code_cell("""\
-from __future__ import print_function, division, unicode_literals
-%matplotlib notebook"""),
+%matplotlib notebook
+
+# Use this magic for jupyterlab.
+# For installation instructions, see https://github.com/matplotlib/jupyter-matplotlib
+#%matplotlib widget
+
+"""),
 
         nbf.new_code_cell("""\
 # Parse output file
@@ -1462,10 +1553,10 @@ def psp8_get_densities(path, fc_file=None, ae_file=None, plot=False):
 
         if ae_file is not None:
             # Write results to file in "AE" format
-            # The files contain
-            # header with number of points and unknown parameter (not used)
-            # then 2 columns with the radial r coordinate and the AE density at r
-            # See http://www.abinit.org/downloads/all_core_electron
+            # The files contains:
+            #   header with number of points and unknown parameter (not used)
+            #   then 2 columns with the radial r coordinate and the AE density at r
+            #   See http://www.abinit.org/downloads/all_core_electron
             header = "%d 0.0 %s %s %s # nr, dummy, symbol, Z, Z_val" % (
                 mmax, pseudo.symbol, pseudo.Z, pseudo.Z_val)
             print(header, file=ae_file)
diff --git a/pseudo_dojo/ppcodes/ppgen.py b/pseudo_dojo/ppcodes/ppgen.py
index c96b966a..362c4086 100644
--- a/pseudo_dojo/ppcodes/ppgen.py
+++ b/pseudo_dojo/ppcodes/ppgen.py
@@ -1,5 +1,7 @@
 # coding: utf-8
 """Pseudopotential Generators."""
+from __future__ import annotations
+
 import abc
 import os
 import tempfile
@@ -7,6 +9,7 @@
 import shutil
 import time
 
+from typing import Any, Union, Optional
 from itertools import product
 from monty.os.path import which
 from abipy.flowtk.pseudos import Pseudo
@@ -27,16 +30,18 @@
 
 
 class Status(int):
-    """An integer representing the status of the 'PseudoGenearator`."""
-    def __repr__(self):
+    """
+    An integer representing the status of the 'PseudoGenerator`.
+    """
+    def __repr__(self) -> str:
         return "<%s: %s, at %s>" % (self.__class__.__name__, str(self), id(self))
 
-    def __str__(self):
+    def __str__(self) -> str:
         """String representation."""
         return _STATUS2STR[self]
 
     @classmethod
-    def as_status(cls, obj):
+    def as_status(cls, obj: Union[Status, str]) -> Status:
         """Convert obj into Status."""
         if isinstance(obj, cls):
             return obj
@@ -54,7 +59,7 @@ def from_string(cls, s):
             raise ValueError("Wrong string %s" % s)
 
 
-class PseudoGenerator(object):
+class PseudoGenerator:
     """
     This object receives a string with the input file and generates a pseudopotential.
     It calls the pp generator in a subprocess to produce the results in a temporary directory.
@@ -98,7 +103,7 @@ class PseudoGenerator(object):
     stdout_basename = "run.out"
     stderr_basename = "run.err"
 
-    def __init__(self, workdir=None):
+    def __init__(self, workdir: Optional[str] = None) -> None:
         # Set the initial status.
         self.set_status(self.S_INIT)
         self.errors, self.warnings = [], []
@@ -113,27 +118,27 @@ def __init__(self, workdir=None):
             self.workdir = tempfile.mkdtemp(prefix=self.__class__.__name__)
 
     @property
-    def stdin_path(self):
+    def stdin_path(self) -> str:
         """Absolute path of the standard input."""
         return os.path.join(self.workdir, self.stdin_basename)
 
     @property
-    def stdout_path(self):
+    def stdout_path(self) -> str:
         """Absolute path of the standard output."""
         return os.path.join(self.workdir, self.stdout_basename)
 
     @property
-    def stderr_path(self):
+    def stderr_path(self) -> str:
         """Absolute path of the standard error."""
         return os.path.join(self.workdir, self.stderr_basename)
 
     @property
-    def status(self):
+    def status(self) -> Status:
         """The status of the job."""
         return self._status
 
     @property
-    def retcode(self):
+    def retcode(self) -> Union[int, None]:
         """
         Return code of the subprocess. None if not available because e.g. the job
         has not been started yet.
@@ -152,19 +157,19 @@ def pseudo(self):
             return None
 
     @property
-    def executable(self):
+    def executable(self) -> str:
         """Name of the executable."""
         return self._executable
 
     @property
-    def input_str(self):
+    def input_str(self) -> str:
         """String with the input file."""
         return self._input_str
 
-    def __repr__(self):
+    def __repr__(self) -> str:
         return "<%s at %s>" % (self.__class__.__name__, os.path.basename(self.workdir))
 
-    def __str__(self):
+    def __str__(self) -> str:
         #return "<%s at %s, status=%s>" % (self.__class__.__name__, os.path.basename(self.workdir), self.status)
         return "<%s at %s, status=%s>" % (self.__class__.__name__, self.workdir, self.status)
 
@@ -175,10 +180,10 @@ def __str__(self):
     #def __ne__(self, other):
     #    return not self == other
 
-    def start(self):
+    def start(self) -> int:
         """"
         Run the calculation in a sub-process (non-blocking interface)
-        Return 1 if calculations started, 0 otherwise.
+        Return 1 if calculation started, 0 otherwise.
         """
         print(self.executable)
         if self.status >= self.S_RUN:
@@ -255,7 +260,7 @@ def check_status(self):
     def get_stdin(self):
         return self.input_str
 
-    def get_stdout(self):
+    def get_stdout(self) -> str:
         """Returns a string with the stdout of the calculation."""
         if not os.path.exists(self.stdout_path):
             return "Stdout file does not exist"
@@ -263,7 +268,7 @@ def get_stdout(self):
         with open(self.stdout_path) as out:
             return out.read()
 
-    def get_stderr(self):
+    def get_stderr(self) -> str:
         """Returns a string with the stderr of the calculation."""
         if not os.path.exists(self.stdout_path):
             return "Stderr file does not exist"
@@ -271,7 +276,7 @@ def get_stderr(self):
         with open(self.stderr_path) as err:
             return err.read()
 
-    def rmtree(self):
+    def rmtree(self) -> int:
         """Remove the temporary directory. Return exit status"""
         try:
             shutil.rmtree(self.workdir)
@@ -333,7 +338,9 @@ class OncvGenerator(PseudoGenerator):
 
     @classmethod
     def from_file(cls, path, calc_type, workdir=None):
-        """Build the object from a file containing input parameters."""
+        """
+        Build the object from a file containing input parameters.
+        """
         with open(path, "rt") as fh:
             input_str = fh.read()
             return cls(input_str, calc_type, workdir=workdir)
@@ -352,6 +359,7 @@ def __init__(self, input_str, calc_type, workdir=None):
         if self.executable is None:
             msg = "Cannot find executable for oncvpsp is PATH. Use `export PATH=dir_with_executable:$PATH`"
             raise RuntimeError(msg)
+
         self.format = 'psp8'
 
     def check_status(self):
@@ -444,12 +452,12 @@ def plot_results(self, **kwargs):
         plotter.plot_atanlogder_econv()
 
 
-class OncvMultiGenerator(object):
+class OncvMultiGenerator:
     """
     This object receives a template input file and generates multi
-    pseudos by changing paricular parameters
+    pseudos by changing particular parameters.
     """
-    def __init__(self, filepath, calc_type="scalar-relativistic"):
+    def __init__(self, filepath: str, calc_type: str = "scalar-relativistic") -> None:
         """
         Args:
             filepath: File with the input file
@@ -463,10 +471,9 @@ def __init__(self, filepath, calc_type="scalar-relativistic"):
     def change_icmod3(self, fcfact_list=(3, 4, 5), rcfact_list=(1.3, 1.35, 1.4, 1.45, 1.5, 1.55)):
         """
         Change the value of fcfact and rcfact in the template. Generate the new pseudos
-        and create new directories with the pseudopotentials in the current workding directory.
+        and create new directories with the pseudopotentials in the current working directory.
 
-        Return:
-            List of `Pseudo` objects
+        Return: List of `Pseudo` objects
 
         Old version with icmod == 1.
 
diff --git a/pseudo_dojo/ppcodes/tests/O_sr_v4.out b/pseudo_dojo/ppcodes/tests/O_sr_v4.out
new file mode 100644
index 00000000..04ef600c
--- /dev/null
+++ b/pseudo_dojo/ppcodes/tests/O_sr_v4.out
@@ -0,0 +1,14749 @@
+ONCVPSP  (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
+scalar-relativistic version 4.0.1 03/01/2019
+
+
+While it is not required under the terms of the GNU GPL, it is
+suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013)
+in any publication utilizing these pseudopotentials.
+
+
+LXC   Exchange
+LXC     Becke 88 (GGA)
+LXC     [1] A. D. Becke, Phys. Rev. A 38, 3098 (1988)
+LXC   Correlation
+LXC     Lee, Yang & Parr (GGA)
+LXC     [1] C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988)
+LXC     [2] B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989)
+
+# ATOM AND REFERENCE CONFIGURATION
+# atsym  z   nc   nv     iexc    psfile
+  O  8.00    1    2 -106131      both
+#
+#   n    l    f        energy (Ha)
+    1    0    2.00    -1.8942298E+01
+    2    0    2.00    -8.7578213E-01
+    2    1    4.00    -3.3160473E-01
+#
+# PSEUDOPOTENTIAL AND OPTIMIZATION
+# lmax
+    2
+#
+#   l,   rc,      ep,       ncon, nbas, qcut
+    0   1.35000   0.00000    4    8   8.40000
+    1   1.45000   0.00000    4    8   9.30000
+    2   1.25000   0.10000    4    8   6.00000
+#
+# LOCAL POTENTIAL
+# lloc, lpopt,  rc(5),   dvloc0
+    4    5   1.20000      0.00000
+#
+# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
+# l, nproj, debl
+    0    2   1.00000
+    1    2   1.00000
+    2    1   1.00000
+#
+# MODEL CORE CHARGE
+# icmod, fcfact, rcfact
+    3   4.00000   1.50000
+#
+# LOG DERIVATIVE ANALYSIS
+# epsh1, epsh2, depsh
+  -12.00   12.00    0.02
+#
+# OUTPUT GRID
+# rlmax, drl
+  6.0000  0.0100
+#
+# TEST CONFIGURATIONS
+# ncnf
+    0
+# nvcnf
+#   n    l    f
+
+
+Reference configufation results
+  iterations    22
+  all-electron total energy (Ha)   -7.50804512D+01
+
+Begin loop to  construct optimized pseudo wave functions
+and semi-local pseudopoentials for all angular momenta
+
+   Wellstate for l =  0  n =  3
+     eigenvalue =   0.1242
+     asymptotic potential =   0.6242
+     half-point radius =  6.3193
+
+Calculating optimized projector #   1
+
+ for l=   0
+
+    Constraint consistency test
+      pswf0 val/der aewf val/der     diff
+        0.55854932    0.55854932    1.37D-12
+       -0.86718159   -0.86718159    3.28D-14
+        1.20167808    1.20167808    2.03D-13
+       -0.79689317   -0.79689317    4.16D-12
+
+    Fraction of norm inside rc  0.715898
+    Optimizing pswf for qcut=   8.39 a_B^-1,  ecut=  35.22 Ha
+    q_infinity defining residual KE= 25.64  (E_inf=  328.7 Ha)
+    Residual kinetic energy error=  2.67D-06 Ha
+
+    Total kinetic energy consistency test
+      Fourier integration compared to d^2/dr^2 integral
+      Fourier  0.76289165  r-space=  0.76289168  ratio=  0.99999997
+    Potential consistency test at r_c
+    "vpsp"= -0.94801979  vae= -0.94805301  difference= -3.32D-05
+
+    Energy error per electron        Cutoff
+         Ha          eV             Ha
+         0.01000     0.27211       12.17
+         0.00100     0.02721       21.67
+         0.00010     0.00272       27.75
+         0.00001     0.00027       32.41
+
+Calculating optimized projector #   2
+
+ for l=   0
+
+    Constraint consistency test
+      pswf0 val/der aewf val/der     diff
+       -0.04537864   -0.04537864    1.08D-13
+        0.42794484    0.42794484    3.16D-15
+       -0.53553742   -0.53553742    7.67D-14
+        0.19565638    0.19565638    2.00D-12
+       -0.18258652   -0.18258652    2.78D-17
+
+    Fraction of norm inside rc  0.049863
+    Optimizing pswf for qcut=   8.39 a_B^-1,  ecut=  35.22 Ha
+    q_infinity defining residual KE= 30.26  (E_inf=  457.8 Ha)
+    Residual kinetic energy error=  6.70D-07 Ha
+
+    Total kinetic energy consistency test
+      Fourier integration compared to d^2/dr^2 integral
+      Fourier  0.27169619  r-space=  0.27169657  ratio=  0.99999858
+    Potential consistency test at r_c
+    "vpsp"= -0.94788098  vae= -0.94805301  difference= -1.72D-04
+
+    Energy error per electron        Cutoff
+         Ha          eV             Ha
+         0.01000     0.27211        3.51
+         0.00100     0.02721       15.20
+         0.00010     0.00272       23.83
+         0.00001     0.00027       29.66
+
+   Wellstate for l =  1  n =  3
+     eigenvalue =   0.6684
+     asymptotic potential =   1.1684
+     half-point radius =  3.4181
+
+Calculating optimized projector #   1
+
+ for l=   1
+
+    Constraint consistency test
+      pswf0 val/der aewf val/der     diff
+        0.45511317    0.45511317    9.20D-13
+       -0.58422663   -0.58422663   -2.43D-14
+        0.80583142    0.80583142    2.39D-13
+       -1.09475337   -1.09475337    1.81D-12
+
+    Fraction of norm inside rc  0.685301
+    Optimizing pswf for qcut=   9.31 a_B^-1,  ecut=  43.35 Ha
+    q_infinity defining residual KE= 25.92  (E_inf=  335.9 Ha)
+    Residual kinetic energy error=  2.22D-06 Ha
+
+    Total kinetic energy consistency test
+      Fourier integration compared to d^2/dr^2 integral
+      Fourier  2.22897312  r-space=  2.22897312  ratio=  1.00000000
+    Potential consistency test at r_c
+    "vpsp"= -0.80328869  vae= -0.80330460  difference= -1.59D-05
+
+    Energy error per electron        Cutoff
+         Ha          eV             Ha
+         0.01000     0.27211       23.77
+         0.00100     0.02721       30.69
+         0.00010     0.00272       36.15
+         0.00001     0.00027       40.33
+
+Calculating optimized projector #   2
+
+ for l=   1
+
+    Constraint consistency test
+      pswf0 val/der aewf val/der     diff
+        0.02731493    0.02731493    4.60D-14
+        0.55950035    0.55950035    6.33D-15
+       -0.82461776   -0.82461776   -8.40D-14
+        0.58223422    0.58223422   -6.21D-13
+       -0.28563808   -0.28563808    1.11D-16
+
+    Fraction of norm inside rc  0.143696
+    Optimizing pswf for qcut=   9.31 a_B^-1,  ecut=  43.35 Ha
+    q_infinity defining residual KE= 30.24  (E_inf=  457.2 Ha)
+    Residual kinetic energy error=  3.50D-06 Ha
+
+    Total kinetic energy consistency test
+      Fourier integration compared to d^2/dr^2 integral
+      Fourier  1.24043119  r-space=  1.24043119  ratio=  1.00000000
+    Potential consistency test at r_c
+    "vpsp"= -0.80371079  vae= -0.80330460  difference=  4.06D-04
+
+    Energy error per electron        Cutoff
+         Ha          eV             Ha
+         0.01000     0.27211       22.49
+         0.00100     0.02721       30.35
+         0.00010     0.00272       36.39
+         0.00001     0.00027       41.55
+
+   Wellstate for l =  2  n =  3
+     eigenvalue =   0.1000
+     asymptotic potential =   0.6000
+     half-point radius = 19.3698
+
+Calculating optimized projector #   1
+
+ for l=   2
+
+    Constraint consistency test
+      pswf0 val/der aewf val/der     diff
+        0.01676268    0.01676268    1.07D-13
+        0.01402519    0.01402519   -7.04D-16
+        0.00047631    0.00047631    8.23D-15
+        0.00293894    0.00293894    2.12D-13
+
+    Fraction of norm inside rc  0.000107
+    Optimizing pswf for qcut=   5.99 a_B^-1,  ecut=  17.95 Ha
+    q_infinity defining residual KE= 32.22  (E_inf=  519.1 Ha)
+    Residual kinetic energy error=  6.27D-07 Ha
+
+    Total kinetic energy consistency test
+      Fourier integration compared to d^2/dr^2 integral
+      Fourier  0.08998887  r-space=  0.08998888  ratio=  0.99999996
+    Potential consistency test at r_c
+    "vpsp"= -1.13322073  vae= -1.13315722  difference=  6.35D-05
+
+    Energy error per electron        Cutoff
+         Ha          eV             Ha
+         0.01000     0.27211        0.23
+         0.00100     0.02721        0.56
+         0.00010     0.00272        2.29
+         0.00001     0.00027        7.90
+
+Construct Vanderbilt / Kleinmman-Bylander projectors
+
+B matrix Hermiticity error, ll=   0
+   1   2    3.3492E-05
+
+  Orthonormal projector coefficients  5.9328E+00  7.8809E-01
+
+B matrix Hermiticity error, ll=   1
+   1   2    4.9076E-05
+
+  Orthonormal projector coefficients -4.7301E+00 -1.1193E+00
+
+Model core correction analysis
+  based on d2Exc/dn_idn_j
+
+d2excae - all-electron derivatives
+
+   -5.181046D-02   -4.414096D-02
+   -4.414252D-02   -4.198535D-02
+
+d2excps - pseudofunction derivatives with no core correction
+
+   -5.165873D-02   -4.649486D-02
+   -4.649625D-02   -4.419868D-02
+
+rms 2nd derivative error    2.000171E-03
+
+rmatch, rhocmatch    0.3828   10.7526
+
+Teter function model core charge with specified parameters
+
+
+d2excps - pseudofunction derivatives with core correction
+
+   -4.902811D-02   -4.550492D-02
+   -4.550571D-02   -4.359302D-02
+
+rms 2nd derivative error    1.873816E-03
+
+Pseudoatom total energy  -15.790069
+
+
+Diagnostic tests using Vanderbilt-Kleinman-Bylander pseudopotentials
+  1 or more projectors used as specified by nproj input data
+
+   l    rcore       rmatch      e in        delta e   norm test  slope test
+
+   0   1.3524621   1.3935258  -0.8757821  -0.0000035   1.0000457   1.0000551
+   0   1.3524621   1.3935258   0.1242179   0.0000014   1.0001127   1.0001127
+
+   1   1.4531180   1.4972378  -0.3316047  -0.0000028   1.0000384   1.0000485
+   1   1.4531180   1.4972378   0.6683953  -0.0000000   1.0001011   1.0001011
+
+   2   1.2512710   1.2892623   0.1000000   0.0000158   1.0000011   1.0000011
+
+ Testing for bound ghosts
+   n   l    E NL Schr. Eq   E Basis Diag.   E Cutoff
+
+   1   0       -0.875786       -0.874335    143.23
+
+   2   1       -0.331608       -0.326783    143.06
+
+
+ Testing for highly-localized positive-energy ghosts
+       l    <radius>/rc     E Basis Diag.   E Cutoff
+
+Test configuration 0
+
+   n   l     f        eae           eps        diff
+   1   0  2.0000  -18.94229817
+   2   0  2.0000   -0.87578213   -0.87578566   -3.53D-06
+   2   1  4.0000   -0.33160473   -0.33160757   -2.84D-06
+
+    Total energies and differences
+      AE_ref= -7.50804512D+01  AE_tst= -7.50804512D+01  dif=  0.00D+00
+      PS_ref= -1.57900687D+01  PS_tst= -1.57900687D+01  dif= -7.11D-15
+      PSP excitation error=  7.11D-15
+
+DATA FOR PLOTTING
+
+ radii, charge, pseudopotentials (ll=0, 1, lmax)
+
+!p   0.0099582    3.7466080   -4.6445128  -15.3234007   20.9698547
+!p   0.0200515    3.7727866   -4.6508795  -15.3218848   20.7492562
+!p   0.0301168    3.8162815   -4.6614199  -15.3192935   20.3849492
+!p   0.0401340    3.8765889   -4.6759702  -15.3155633   19.8843423
+!p   0.0503774    3.9555007   -4.6949217  -15.3104654   19.2371241
+!p   0.0606419    4.0516508   -4.7179182  -15.3039572   18.4603042
+!p   0.0708469    4.1636865   -4.7446306  -15.2960054   17.5711551
+!p   0.0812969    4.2947972   -4.7758334  -15.2862432   16.5520394
+!p   0.0916292    4.4400375   -4.8103850  -15.2748993   15.4494292
+!p   0.1020463    4.6014022   -4.8488152  -15.2616825   14.2560495
+!p   0.1122962    4.7739745   -4.8900215  -15.2468628   13.0156627
+!p   0.1228386    4.9648105   -4.9357754  -15.2296701   11.6859785
+!p   0.1335693    5.1718895   -4.9857051  -15.2100647   10.2915479
+!p   0.1443711    5.3922587   -5.0392229  -15.1881062    8.8613290
+!p   0.1551158    5.6221050   -5.0955261  -15.1639727    7.4268226
+!p   0.1656662    5.8568993   -5.1536138  -15.1379752    6.0199704
+!p   0.1758789    6.0916035   -5.2123186  -15.1105659    4.6711094
+!p   0.1867211    6.3474780   -5.2771178  -15.0789716    3.2642528
+!p   0.1970495    6.5963948   -5.3410287  -15.0464076    1.9577817
+!p   0.2079491    6.8631883   -5.4105746  -15.0093471    0.6239248
+!p   0.2181429    7.1152740   -5.4773701  -14.9721046   -0.5745052
+!p   0.2288363    7.3810837   -5.5490491  -14.9302721   -1.7741431
+!p   0.2400539    7.6599905   -5.6257702  -14.8832561   -2.9631359
+!p   0.2503194    7.9140144   -5.6971295  -14.8373379   -3.9844126
+!p   0.2610240    8.1763995   -5.7724814  -14.7864307   -4.9777895
+!p   0.2721863    8.4459479   -5.8518274  -14.7299706   -5.9329750
+!p   0.2838260    8.7211490   -5.9351194  -14.6673305   -6.8391644
+!p   0.2941982    8.9601378   -6.0095732  -14.6081948   -7.5684585
+!p   0.3049495    9.2005341   -6.0867391  -14.5435276   -8.2464746
+!p   0.3160937    9.4407337   -6.1664649  -14.4728048   -8.8661860
+!p   0.3276451    9.6789061   -6.2485491  -14.3954580   -9.4207917
+!p   0.3396187    9.9129869   -6.3327347  -14.3108715   -9.9039053
+!p   0.3499302   10.1032759   -6.4042667  -14.2343745  -10.2477146
+!p   0.3605549   10.2876740   -6.4768176  -14.1519781  -10.5350007
+!p   0.3715021   10.4646157   -6.5501308  -14.0632463  -10.7634426
+!p   0.3827817   10.6324320   -6.6239109  -13.9677174  -10.9313925
+!p   0.3944038   10.7893593   -6.6978206  -13.8649042  -11.0380117
+!p   0.4063787   10.9335514   -6.7714768  -13.7542934  -11.0834137
+!p   0.4187173   11.0630957   -6.8444481  -13.6353457  -11.0688073
+!p   0.4288573   11.1548687   -6.9020094  -13.5338064  -11.0155117
+!p   0.4392429   11.2349981   -6.9585526  -13.4262705  -10.9272147
+!p   0.4498800   11.3024679   -7.0137837  -13.3124296  -10.8063696
+!p   0.4607747   11.3562719   -7.0673871  -13.1919682  -10.6560351
+!p   0.4719332   11.3954241   -7.1190265  -13.0645669  -10.4798797
+!p   0.4833619   11.4189717   -7.1683478  -12.9299063  -10.2821674
+!p   0.4950674   11.4260076   -7.2149827  -12.7876727  -10.0677190
+!p   0.5070564   11.4156846   -7.2585542  -12.6375651   -9.8418461
+!p   0.5193357   11.3872294   -7.2986840  -12.4793045   -9.6102517
+!p   0.5319124   11.3399580   -7.3350003  -12.3126444   -9.3788966
+!p   0.5447937   11.2732904   -7.3671481  -12.1373823   -9.1538287
+!p   0.5579869   11.1867656   -7.3947974  -11.9533712   -8.9409759
+!p   0.5680910   11.1086380   -7.4124029  -11.8095705   -8.7927233
+!p   0.5783781   11.0190685   -7.4272006  -11.6607960   -8.6566190
+!p   0.5888515   10.9180219   -7.4390939  -11.5070673   -8.5345321
+!p   0.5995146   10.8055148   -7.4480001  -11.3484309   -8.4280025
+!p   0.6103707   10.6816185   -7.4538498  -11.1849607   -8.3381762
+!p   0.6214234   10.5464605   -7.4565860  -11.0167574   -8.2657456
+!p   0.6326763   10.4002260   -7.4561623  -10.8439485   -8.2108979
+!p   0.6441329   10.2431591   -7.4525407  -10.6666871   -8.1732732
+!p   0.6557970   10.0755630   -7.4456892  -10.4851506   -8.1519382
+!p   0.6676723    9.8978000   -7.4355796  -10.2995395   -8.1453753
+!p   0.6797627    9.7102904   -7.4221844  -10.1100765   -8.1514914
+!p   0.6920720    9.5135114   -7.4054749   -9.9170060   -8.1676482
+!p   0.7046042    9.3079944   -7.3854195   -9.7205934   -8.1907138
+!p   0.7173633    9.0943228   -7.3619819   -9.5211259   -8.2171382
+!p   0.7303535    8.8731279   -7.3351208   -9.3189132   -8.2430508
+!p   0.7435789    8.6450849   -7.3047888   -9.1142889   -8.2643781
+!p   0.7570438    8.4109081   -7.2709335   -8.9076127   -8.2769812
+!p   0.7707525    8.1713455   -7.2334973   -8.6992729   -8.2768085
+!p   0.7847094    7.9271726   -7.1924192   -8.4896885   -8.2600596
+!p   0.7989191    7.6791865   -7.1476355   -8.2793122   -8.2233561
+!p   0.8133861    7.4281988   -7.0990817   -8.0686330   -8.1639116
+!p   0.8281151    7.1750287   -7.0466939   -7.8581778   -8.0796958
+!p   0.8431108    6.9204959   -6.9904107   -7.6485131   -7.9695823
+!p   0.8532584    6.7504524   -6.9506958   -7.5094739   -7.8816914
+!p   0.8635283    6.5804027   -6.9092084   -7.3712445   -7.7824666
+!p   0.8739217    6.4105809   -6.8659341   -7.2340223   -7.6723789
+!p   0.8844402    6.2412169   -6.8208605   -7.0980117   -7.5521291
+!p   0.8950853    6.0725348   -6.7739767   -6.9634242   -7.4226439
+!p   0.9058586    5.9047528   -6.7252745   -6.8304774   -7.2850668
+!p   0.9167615    5.7380820   -6.6747480   -6.6993943   -7.1407417
+!p   0.9277956    5.5727258   -6.6223943   -6.5704022   -6.9911905
+!p   0.9389626    5.4088793   -6.5682137   -6.4437319   -6.8380831
+!p   0.9502639    5.2467287   -6.5122105   -6.3196157   -6.6832006
+!p   0.9617013    5.0864504   -6.4543934   -6.1982865   -6.5283925
+!p   0.9732764    4.9282109   -6.3947762   -6.0799755   -6.3755271
+!p   0.9849907    4.7721665   -6.3333780   -5.9649102   -6.2264388
+!p   0.9968461    4.6184622   -6.2702251   -5.8533125   -6.0828706
+!p   1.0088441    4.4672323   -6.2053506   -5.7453959   -5.9464166
+!p   1.0209865    4.3185996   -6.1387965   -5.6413630   -5.8184651
+!p   1.0332751    4.1726756   -6.0706141   -5.5414024   -5.7001457
+!p   1.0457116    4.0295600   -6.0008657   -5.4456858   -5.5922816
+!p   1.0582978    3.8893412   -5.9296255   -5.3543648   -5.4953524
+!p   1.0710355    3.7520959   -5.8569810   -5.2675671   -5.4094679
+!p   1.0839265    3.6178895   -5.7830349   -5.1853938   -5.3343551
+!p   1.0969726    3.4867762   -5.7079059   -5.1079150   -5.2693627
+!p   1.1101758    3.3587992   -5.6317305   -5.0351672   -5.2134805
+!p   1.1235379    3.2339911   -5.5546645   -4.9671491   -5.1653783
+!p   1.1370608    3.1123739   -5.4768841   -4.9038189   -5.1234597
+!p   1.1507464    2.9939600   -5.3985871   -4.8450912   -5.0859330
+!p   1.1645968    2.8787520   -5.3199940   -4.7908340   -5.0508939
+!p   1.1786139    2.7667437   -5.2413484   -4.7408671   -5.0164188
+!p   1.1927997    2.6579203   -5.1629176   -4.6949599   -4.9806636
+!p   1.2071562    2.5522591   -5.0849921   -4.6528308   -4.9419637
+!p   1.2216856    2.4497301   -5.0078851   -4.6141466   -4.8989291
+!p   1.2363898    2.3502967   -4.9319312   -4.5785235   -4.8505314
+!p   1.2512710    2.2539163   -4.8574843   -4.5455288   -4.7961737
+!p   1.2663313    2.1605412   -4.7849145   -4.5146834   -4.7390248
+!p   1.2815728    2.0701188   -4.7146050   -4.4854660   -4.6825954
+!p   1.2969978    1.9825930   -4.6469473   -4.4573187   -4.6268190
+!p   1.3126085    1.8979044   -4.5823359   -4.4296531   -4.5716930
+!p   1.3284070    1.8159916   -4.5211620   -4.4018593   -4.5172153
+!p   1.3443958    1.7367914   -4.4638071   -4.3733154   -4.4633837
+!p   1.3605769    1.6602397   -4.4101973   -4.3433999   -4.4101973
+!p   1.3769528    1.5862729   -4.3576587   -4.3115076   -4.3576587
+!p   1.3935258    1.5148294   -4.3057638   -4.2770542   -4.3057638
+!p   1.4102983    1.4458511   -4.2545060   -4.2394975   -4.2545060
+!p   1.4272726    1.3792832   -4.2038770   -4.1983560   -4.2038770
+!p   1.4444513    1.3150746   -4.1538667   -4.1532295   -4.1538667
+!p   1.4618367    1.2531780   -4.1044622   -4.1044622   -4.1044622
+!p   1.4794314    1.1935483   -4.0556469   -4.0556469   -4.0556469
+!p   1.4972378    1.1361404   -4.0074124   -4.0074124   -4.0074124
+!p   1.5152586    1.0809076   -3.9597518   -3.9597518   -3.9597518
+!p   1.5334962    1.0278022   -3.9126584   -3.9126584   -3.9126584
+!p   1.5519534    0.9767755   -3.8661252   -3.8661252   -3.8661252
+!p   1.5706327    0.9277779   -3.8201455   -3.8201455   -3.8201455
+!p   1.5895368    0.8807591   -3.7747126   -3.7747126   -3.7747126
+!p   1.6086685    0.8356683   -3.7298199   -3.7298199   -3.7298199
+!p   1.6280304    0.7924543   -3.6854609   -3.6854609   -3.6854609
+!p   1.6476254    0.7510655   -3.6416294   -3.6416294   -3.6416294
+!p   1.6674562    0.7114501   -3.5983191   -3.5983191   -3.5983191
+!p   1.6774609    0.6922913   -3.5768575   -3.5768575   -3.5768575
+!p   1.6875257    0.6735563   -3.5555239   -3.5555239   -3.5555239
+!p   1.6976509    0.6552389   -3.5343176   -3.5343176   -3.5343176
+!p   1.7078368    0.6373325   -3.5132377   -3.5132377   -3.5132377
+!p   1.7180838    0.6198306   -3.4922839   -3.4922839   -3.4922839
+!p   1.7283923    0.6027269   -3.4714555   -3.4714555   -3.4714555
+!p   1.7387627    0.5860149   -3.4507509   -3.4507509   -3.4507509
+!p   1.7491952    0.5696883   -3.4301696   -3.4301696   -3.4301696
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+
+
+ radii, charge, core charge, model core charge
+
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+!r   0.0301168    3.8162815   57.1300382   42.6381494
+!r   0.0401340    3.8765889   57.1300382   42.3513403
+!r   0.0503774    3.9555007   57.1300382   41.9762265
+!r   0.0606419    4.0516508   57.1300382   41.5194311
+!r   0.0708469    4.1636865   57.1300382   40.9875233
+!r   0.0812969    4.2947972   57.1300382   40.3655334
+!r   0.0916292    4.4400375   57.1300382   39.6771012
+!r   0.1020463    4.6014022   57.1300382   38.9129435
+!r   0.1122962    4.7739745   57.1300382   38.0965005
+!r   0.1228386    4.9648105   57.1300382   37.1945565
+!r   0.1335693    5.1718895   57.1300382   36.2168563
+!r   0.1443711    5.3922587   57.1300382   35.1774780
+!r   0.1551158    5.6221050   57.1300382   34.0944632
+!r   0.1656662    5.8568993   57.1300382   32.9891114
+!r   0.1758789    6.0916035   57.1300382   31.8850037
+!r   0.1867211    6.3474780   57.1300382   30.6820123
+!r   0.1970495    6.5963948   57.1300382   29.5121711
+!r   0.2079491    6.8631883   57.1300382   28.2584352
+!r   0.2181429    7.1152740   57.1300382   27.0735281
+!r   0.2288363    7.3810837   57.1300382   25.8232970
+!r   0.2400539    7.6599905   57.1300382   24.5098702
+!r   0.2503194    7.9140144   57.1300382   23.3114496
+!r   0.2610240    8.1763995   57.1300382   22.0704866
+!r   0.2721863    8.4459479   55.2961775   20.7911679
+!r   0.2838260    8.7211490   46.4703337   19.4787099
+!r   0.2941982    8.9601378   39.8127913   18.3321166
+!r   0.3049495    9.2005341   33.9276229   17.1704102
+!r   0.3160937    9.4407337   28.7534341   15.9988190
+!r   0.3276451    9.6789061   24.2298329   14.8231629
+!r   0.3396187    9.9129869   20.2979347   13.6498207
+!r   0.3499302   10.1032759   17.4322152   12.6787555
+!r   0.3605549   10.2876740   14.9061330   11.7182830
+!r   0.3715021   10.4646157   12.6892738   10.7727811
+!r   0.3827817   10.6324320   10.7526259    9.8467411
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+!r   0.5070564   11.4156846    1.7676434    2.8825579
+!r   0.5193357   11.3872294    1.4814703    2.4857049
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+!r   0.5447937   11.2732904    1.0281746    1.7960005
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+
+
+n= 2,  l= 0, all-electron wave function, pseudo w-f
+
+&    10    0.009958    -0.093703     0.013614
+&    10    0.020051    -0.173457     0.027416
+&    10    0.030117    -0.239393     0.041183
+&    10    0.040134    -0.292926     0.054891
+&    10    0.050377    -0.336495     0.068917
+&    10    0.060642    -0.370021     0.082983
+&    10    0.070847    -0.394378     0.096980
+&    10    0.081297    -0.411065     0.111328
+&    10    0.091629    -0.420266     0.125531
+&    10    0.102046    -0.423037     0.139869
+&    10    0.112296    -0.420123     0.153996
+&    10    0.122839    -0.411984     0.168547
+&    10    0.133569    -0.399003     0.183379
+&    10    0.144371    -0.381765     0.198333
+&    10    0.155116    -0.361021     0.213231
+&    10    0.165666    -0.337646     0.227882
+&    10    0.175879    -0.312583     0.242084
+&    10    0.186721    -0.283745     0.257182
+&    10    0.197049    -0.254476     0.271582
+&    10    0.207949    -0.222012     0.286797
+&    10    0.218143    -0.190455     0.301039
+&    10    0.228836    -0.156364     0.315991
+&    10    0.240054    -0.119770     0.331685
+&    10    0.250319    -0.085739     0.346051
+&    10    0.261024    -0.049888     0.361032
+&    10    0.272186    -0.012287     0.376647
+&    10    0.283826     0.026976     0.392918
+&    10    0.294198     0.061871     0.407400
+&    10    0.304949     0.097830     0.422388
+&    10    0.316094     0.134765     0.437891
+&    10    0.327645     0.172576     0.453916
+&    10    0.339619     0.211154     0.470470
+&    10    0.349930     0.243802     0.484671
+&    10    0.360555     0.276827     0.499239
+&    10    0.371502     0.310148     0.514174
+&    10    0.382782     0.343683     0.529472
+&    10    0.394404     0.377343     0.545125
+&    10    0.406379     0.411039     0.561123
+&    10    0.418717     0.444676     0.577455
+&    10    0.428857     0.471477     0.590750
+&    10    0.439243     0.498125     0.604236
+&    10    0.449880     0.524569     0.617903
+&    10    0.460775     0.550753     0.631737
+&    10    0.471933     0.576624     0.645719
+&    10    0.483362     0.602125     0.659833
+&    10    0.495067     0.627199     0.674057
+&    10    0.507056     0.651789     0.688367
+&    10    0.519336     0.675835     0.702736
+&    10    0.531912     0.699279     0.717134
+&    10    0.544794     0.722062     0.731528
+&    10    0.557987     0.744126     0.745883
+&    10    0.568091     0.760168     0.756599
+&    10    0.578378     0.775748     0.767253
+&    10    0.588852     0.790843     0.777824
+&    10    0.599515     0.805431     0.788293
+&    10    0.610371     0.819487     0.798639
+&    10    0.621423     0.832991     0.808839
+&    10    0.632676     0.845920     0.818868
+&    10    0.644133     0.858255     0.828703
+&    10    0.655797     0.869976     0.838318
+&    10    0.667672     0.881064     0.847686
+&    10    0.679763     0.891500     0.856778
+&    10    0.692072     0.901270     0.865566
+&    10    0.704604     0.910355     0.874022
+&    10    0.717363     0.918743     0.882114
+&    10    0.730353     0.926420     0.889812
+&    10    0.743579     0.933374     0.897085
+&    10    0.757044     0.939594     0.903901
+&    10    0.770752     0.945071     0.910228
+&    10    0.784709     0.949796     0.916036
+&    10    0.798919     0.953763     0.921292
+&    10    0.813386     0.956966     0.925966
+&    10    0.828115     0.959403     0.930028
+&    10    0.843111     0.961069     0.933447
+&    10    0.853258     0.961753     0.935356
+&    10    0.863528     0.962094     0.936959
+&    10    0.873922     0.962092     0.938249
+&    10    0.884440     0.961750     0.939218
+&    10    0.895085     0.961068     0.939858
+&    10    0.905859     0.960046     0.940164
+&    10    0.916761     0.958687     0.940130
+&    10    0.927796     0.956993     0.939750
+&    10    0.938963     0.954965     0.939019
+&    10    0.950264     0.952606     0.937932
+&    10    0.961701     0.949919     0.936487
+&    10    0.973276     0.946906     0.934679
+&    10    0.984991     0.943572     0.932506
+&    10    0.996846     0.939919     0.929968
+&    10    1.008844     0.935952     0.927063
+&    10    1.020987     0.931674     0.923791
+&    10    1.033275     0.927090     0.920153
+&    10    1.045712     0.922204     0.916151
+&    10    1.058298     0.917021     0.911787
+&    10    1.071035     0.911547     0.907066
+&    10    1.083926     0.905786     0.901991
+&    10    1.096973     0.899744     0.896569
+&    10    1.110176     0.893428     0.890805
+&    10    1.123538     0.886842     0.884707
+&    10    1.137061     0.879993     0.878283
+&    10    1.150746     0.872887     0.871542
+&    10    1.164597     0.865532     0.864495
+&    10    1.178614     0.857933     0.857151
+&    10    1.192800     0.850098     0.849523
+&    10    1.207156     0.842033     0.841622
+&    10    1.221686     0.833746     0.833460
+&    10    1.236390     0.825245     0.825051
+&    10    1.251271     0.816536     0.816407
+&    10    1.266331     0.807628     0.807542
+&    10    1.281573     0.798528     0.798468
+&    10    1.296998     0.789244     0.789199
+&    10    1.312608     0.779784     0.779745
+&    10    1.328407     0.770156     0.770120
+&    10    1.344396     0.760368     0.760333
+&    10    1.360577     0.750429     0.750394
+&    10    1.376953     0.740346     0.740312
+&    10    1.393526     0.730128     0.730095
+&    10    1.410298     0.719784     0.719751
+&    10    1.427273     0.709321     0.709289
+&    10    1.444451     0.698748     0.698717
+&    10    1.461837     0.688074     0.688043
+&    10    1.479431     0.677307     0.677276
+&    10    1.497238     0.666454     0.666424
+&    10    1.515259     0.655526     0.655497
+&    10    1.533496     0.644530     0.644501
+&    10    1.551953     0.633473     0.633445
+&    10    1.570633     0.622366     0.622338
+&    10    1.589537     0.611215     0.611188
+&    10    1.608668     0.600030     0.600003
+&    10    1.628030     0.588817     0.588790
+&    10    1.647625     0.577585     0.577559
+&    10    1.667456     0.566342     0.566317
+&    10    1.677461     0.560719     0.560694
+&    10    1.687526     0.555096     0.555071
+&    10    1.697651     0.549474     0.549450
+&    10    1.707837     0.543855     0.543830
+&    10    1.718084     0.538238     0.538214
+&    10    1.728392     0.532625     0.532601
+&    10    1.738763     0.527017     0.526994
+&    10    1.749195     0.521415     0.521392
+&    10    1.759690     0.515820     0.515796
+&    10    1.770249     0.510232     0.510209
+&    10    1.780870     0.504653     0.504630
+&    10    1.791555     0.499083     0.499060
+&    10    1.802305     0.493523     0.493501
+&    10    1.813118     0.487975     0.487953
+&    10    1.823997     0.482438     0.482416
+&    10    1.834941     0.476914     0.476893
+&    10    1.845951     0.471405     0.471383
+&    10    1.857026     0.465909     0.465888
+&    10    1.868169     0.460429     0.460408
+&    10    1.879378     0.454965     0.454945
+&    10    1.890654     0.449518     0.449498
+&    10    1.901998     0.444089     0.444069
+&    10    1.913410     0.438678     0.438658
+&    10    1.924890     0.433287     0.433267
+&    10    1.936440     0.427916     0.427896
+&    10    1.948058     0.422565     0.422546
+&    10    1.959747     0.417236     0.417217
+&    10    1.971505     0.411929     0.411910
+&    10    1.983334     0.406645     0.406626
+&    10    1.995234     0.401385     0.401366
+&    10    2.007206     0.396149     0.396131
+&    10    2.019249     0.390938     0.390920
+&    10    2.031364     0.385752     0.385735
+&    10    2.043552     0.380593     0.380576
+&    10    2.055814     0.375461     0.375444
+&    10    2.068149     0.370357     0.370339
+&    10    2.080558     0.365280     0.365263
+&    10    2.093041     0.360233     0.360216
+&    10    2.105599     0.355214     0.355198
+&    10    2.118233     0.350226     0.350209
+&    10    2.130942     0.345268     0.345252
+&    10    2.143728     0.340341     0.340325
+&    10    2.156590     0.335445     0.335430
+&    10    2.169530     0.330582     0.330566
+&    10    2.182547     0.325751     0.325736
+&    10    2.195642     0.320953     0.320938
+&    10    2.208816     0.316189     0.316174
+&    10    2.222069     0.311459     0.311444
+&    10    2.235401     0.306763     0.306748
+&    10    2.248814     0.302102     0.302088
+&    10    2.262307     0.297476     0.297462
+&    10    2.275880     0.292886     0.292872
+&    10    2.289536     0.288333     0.288319
+&    10    2.303273     0.283815     0.283801
+&    10    2.317093     0.279335     0.279321
+&    10    2.330995     0.274891     0.274878
+&    10    2.344981     0.270485     0.270472
+&    10    2.359051     0.266117     0.266104
+&    10    2.373205     0.261788     0.261775
+&    10    2.387444     0.257496     0.257484
+&    10    2.401769     0.253244     0.253231
+&    10    2.416180     0.249030     0.249018
+&    10    2.430677     0.244856     0.244844
+&    10    2.445261     0.240721     0.240709
+&    10    2.459932     0.236626     0.236615
+&    10    2.474692     0.232572     0.232560
+&    10    2.489540     0.228557     0.228545
+&    10    2.504477     0.224582     0.224571
+&    10    2.519504     0.220649     0.220637
+&    10    2.534621     0.216756     0.216745
+&    10    2.549829     0.212904     0.212893
+&    10    2.565128     0.209092     0.209082
+&    10    2.580519     0.205323     0.205312
+&    10    2.596002     0.201594     0.201583
+&    10    2.611578     0.197907     0.197896
+&    10    2.627247     0.194261     0.194251
+&    10    2.643011     0.190656     0.190646
+&    10    2.658869     0.187094     0.187084
+&    10    2.674822     0.183573     0.183563
+&    10    2.690871     0.180093     0.180084
+&    10    2.707016     0.176656     0.176646
+&    10    2.723258     0.173260     0.173250
+&    10    2.739598     0.169906     0.169896
+&    10    2.756036     0.166593     0.166584
+&    10    2.772572     0.163322     0.163314
+&    10    2.789207     0.160093     0.160085
+&    10    2.805942     0.156906     0.156898
+&    10    2.822778     0.153760     0.153752
+&    10    2.839715     0.150656     0.150648
+&    10    2.856753     0.147593     0.147585
+&    10    2.873894     0.144572     0.144564
+&    10    2.891137     0.141592     0.141584
+&    10    2.908484     0.138653     0.138645
+&    10    2.925935     0.135755     0.135748
+&    10    2.943490     0.132898     0.132891
+&    10    2.961151     0.130082     0.130075
+&    10    2.978918     0.127307     0.127300
+&    10    2.996792     0.124572     0.124565
+&    10    3.014772     0.121877     0.121870
+&    10    3.032861     0.119223     0.119216
+&    10    3.051058     0.116609     0.116602
+&    10    3.069365     0.114034     0.114027
+&    10    3.087781     0.111499     0.111493
+&    10    3.106307     0.109004     0.108997
+&    10    3.124945     0.106547     0.106541
+&    10    3.143695     0.104130     0.104124
+&    10    3.162557     0.101751     0.101745
+&    10    3.181532     0.099411     0.099406
+&    10    3.200622     0.097110     0.097104
+&    10    3.219825     0.094846     0.094840
+&    10    3.239144     0.092620     0.092614
+&    10    3.258579     0.090432     0.090426
+&    10    3.278131     0.088280     0.088275
+&    10    3.297799     0.086166     0.086161
+&    10    3.317586     0.084089     0.084083
+&    10    3.337492     0.082047     0.082042
+&    10    3.357517     0.080042     0.080037
+&    10    3.377662     0.078073     0.078068
+&    10    3.397928     0.076139     0.076135
+&    10    3.418315     0.074241     0.074236
+&    10    3.438825     0.072377     0.072373
+&    10    3.459458     0.070548     0.070544
+&    10    3.480215     0.068753     0.068749
+&    10    3.501096     0.066992     0.066988
+&    10    3.522103     0.065265     0.065261
+&    10    3.543235     0.063571     0.063567
+&    10    3.564495     0.061910     0.061905
+&    10    3.585882     0.060281     0.060277
+&    10    3.607397     0.058684     0.058681
+&    10    3.629041     0.057120     0.057116
+&    10    3.650816     0.055587     0.055583
+&    10    3.672721     0.054085     0.054082
+&    10    3.694757     0.052614     0.052611
+&    10    3.716925     0.051174     0.051170
+&    10    3.739227     0.049763     0.049760
+&    10    3.761662     0.048382     0.048379
+&    10    3.784232     0.047031     0.047028
+&    10    3.806938     0.045709     0.045705
+&    10    3.829779     0.044415     0.044412
+&    10    3.852758     0.043149     0.043146
+&    10    3.875875     0.041912     0.041909
+&    10    3.899130     0.040702     0.040699
+&    10    3.922525     0.039519     0.039516
+&    10    3.946060     0.038363     0.038360
+&    10    3.969736     0.037233     0.037230
+&    10    3.993555     0.036129     0.036127
+&    10    4.017516     0.035051     0.035049
+&    10    4.041621     0.033998     0.033996
+&    10    4.065871     0.032970     0.032968
+&    10    4.090266     0.031967     0.031964
+&    10    4.114808     0.030987     0.030985
+&    10    4.139496     0.030032     0.030030
+&    10    4.164333     0.029100     0.029098
+&    10    4.189319     0.028191     0.028189
+&    10    4.214455     0.027304     0.027302
+&    10    4.239742     0.026440     0.026438
+&    10    4.265180     0.025598     0.025596
+&    10    4.290772     0.024777     0.024775
+&    10    4.316516     0.023977     0.023975
+&    10    4.342415     0.023198     0.023196
+&    10    4.368470     0.022440     0.022438
+&    10    4.394681     0.021701     0.021699
+&    10    4.421049     0.020982     0.020981
+&    10    4.447575     0.020283     0.020281
+&    10    4.474260     0.019602     0.019601
+&    10    4.501106     0.018940     0.018939
+&    10    4.528113     0.018297     0.018295
+&    10    4.555281     0.017671     0.017669
+&    10    4.582613     0.017063     0.017061
+&    10    4.610109     0.016472     0.016470
+&    10    4.637769     0.015897     0.015896
+&    10    4.665596     0.015339     0.015338
+&    10    4.693589     0.014798     0.014797
+&    10    4.721751     0.014272     0.014271
+&    10    4.750082     0.013762     0.013761
+&    10    4.778582     0.013266     0.013265
+&    10    4.807254     0.012786     0.012785
+&    10    4.836097     0.012320     0.012319
+&    10    4.865114     0.011868     0.011867
+&    10    4.894304     0.011430     0.011429
+&    10    4.923670     0.011006     0.011005
+&    10    4.953212     0.010595     0.010594
+&    10    4.982931     0.010196     0.010195
+&    10    5.012829     0.009810     0.009809
+&    10    5.042906     0.009437     0.009436
+&    10    5.073163     0.009075     0.009074
+&    10    5.103602     0.008725     0.008725
+&    10    5.134224     0.008387     0.008386
+&    10    5.165029     0.008060     0.008059
+&    10    5.196020     0.007743     0.007742
+&    10    5.227196     0.007437     0.007436
+&    10    5.258559     0.007141     0.007141
+&    10    5.290110     0.006856     0.006855
+&    10    5.321851     0.006580     0.006579
+&    10    5.353782     0.006313     0.006312
+&    10    5.385905     0.006056     0.006055
+&    10    5.418220     0.005807     0.005807
+&    10    5.450729     0.005568     0.005567
+&    10    5.483434     0.005337     0.005336
+&    10    5.516334     0.005114     0.005113
+&    10    5.549432     0.004899     0.004898
+&    10    5.582729     0.004692     0.004691
+&    10    5.616225     0.004492     0.004492
+&    10    5.649923     0.004300     0.004299
+&    10    5.683822     0.004115     0.004114
+&    10    5.717925     0.003936     0.003936
+&    10    5.752233     0.003765     0.003764
+&    10    5.786746     0.003600     0.003599
+&    10    5.821467     0.003441     0.003440
+&    10    5.856395     0.003288     0.003288
+&    10    5.891534     0.003141     0.003141
+&    10    5.926883     0.003000     0.003000
+&    10    5.962444     0.002864     0.002864
+&    10    5.998219     0.002734     0.002734
+
+
+scattering, iprj= 2,  l= 0, all-electron wave function, pseudo w-f
+
+&    20    0.009958    -0.034594     0.005198
+&    20    0.020051    -0.064031     0.010467
+&    20    0.030117    -0.088355     0.015723
+&    20    0.040134    -0.108082     0.020954
+&    20    0.050377    -0.124110     0.026306
+&    20    0.060642    -0.136408     0.031672
+&    20    0.070847    -0.145297     0.037009
+&    20    0.081297    -0.151327     0.042478
+&    20    0.091629    -0.154570     0.047889
+&    20    0.102046    -0.155414     0.053348
+&    20    0.112296    -0.154138     0.058722
+&    20    0.122839    -0.150906     0.064254
+&    20    0.133569    -0.145862     0.069888
+&    20    0.144371    -0.139225     0.075563
+&    20    0.155116    -0.131280     0.081210
+&    20    0.165666    -0.122355     0.086757
+&    20    0.175879    -0.112807     0.092127
+&    20    0.186721    -0.101840     0.097828
+&    20    0.197049    -0.090725     0.103257
+&    20    0.207949    -0.078413     0.108984
+&    20    0.218143    -0.066459     0.114335
+&    20    0.228836    -0.053559     0.119941
+&    20    0.240054    -0.039730     0.125813
+&    20    0.250319    -0.026885     0.131175
+&    20    0.261024    -0.013370     0.136753
+&    20    0.272186     0.000784     0.142551
+&    20    0.283826     0.015539     0.148574
+&    20    0.294198     0.028629     0.153916
+&    20    0.304949     0.042094     0.159427
+&    20    0.316094     0.055895     0.165106
+&    20    0.327645     0.069989     0.170952
+&    20    0.339619     0.084329     0.176962
+&    20    0.349930     0.096430     0.182092
+&    20    0.360555     0.108633     0.187331
+&    20    0.371502     0.120904     0.192673
+&    20    0.382782     0.133207     0.198112
+&    20    0.394404     0.145501     0.203641
+&    20    0.406379     0.157747     0.209251
+&    20    0.418717     0.169902     0.214932
+&    20    0.428857     0.179531     0.219519
+&    20    0.439243     0.189050     0.224137
+&    20    0.449880     0.198434     0.228775
+&    20    0.460775     0.207659     0.233425
+&    20    0.471933     0.216698     0.238076
+&    20    0.483362     0.225526     0.242717
+&    20    0.495067     0.234116     0.247333
+&    20    0.507056     0.242439     0.251911
+&    20    0.519336     0.250468     0.256435
+&    20    0.531912     0.258175     0.260886
+&    20    0.544794     0.265530     0.265245
+&    20    0.557987     0.272504     0.269493
+&    20    0.568091     0.277467     0.272591
+&    20    0.578378     0.282188     0.275603
+&    20    0.588852     0.286654     0.278518
+&    20    0.599515     0.290853     0.281324
+&    20    0.610371     0.294772     0.284010
+&    20    0.621423     0.298401     0.286564
+&    20    0.632676     0.301728     0.288971
+&    20    0.644133     0.304741     0.291219
+&    20    0.655797     0.307428     0.293293
+&    20    0.667672     0.309780     0.295178
+&    20    0.679763     0.311785     0.296859
+&    20    0.692072     0.313433     0.298321
+&    20    0.704604     0.314715     0.299547
+&    20    0.717363     0.315619     0.300520
+&    20    0.730353     0.316139     0.301224
+&    20    0.743579     0.316263     0.301641
+&    20    0.757044     0.315985     0.301754
+&    20    0.770752     0.315297     0.301546
+&    20    0.784709     0.314190     0.301000
+&    20    0.798919     0.312659     0.300097
+&    20    0.813386     0.310696     0.298820
+&    20    0.828115     0.308296     0.297154
+&    20    0.843111     0.305454     0.295080
+&    20    0.853258     0.303311     0.293464
+&    20    0.863528     0.300969     0.291656
+&    20    0.873922     0.298425     0.289651
+&    20    0.884440     0.295679     0.287445
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+!J     0    0.610371     0.300354     1.440962
+!J     0    0.621423     0.233812     1.467113
+!J     0    0.632676     0.166897     1.491942
+!J     0    0.644133     0.099836     1.515328
+!J     0    0.655797     0.032885     1.537099
+!J     0    0.667672    -0.033655     1.557010
+!J     0    0.675708    -0.077618     1.569092
+!J     0    0.683841    -0.121133     1.580085
+!J     0    0.692072    -0.164074     1.589847
+!J     0    0.700402    -0.206306     1.598214
+!J     0    0.708832    -0.247683     1.605002
+!J     0    0.717363    -0.288044     1.609998
+!J     0    0.725997    -0.327222     1.612970
+!J     0    0.734736    -0.365034     1.613657
+!J     0    0.743579    -0.401289     1.611778
+!J     0    0.752529    -0.435786     1.607029
+!J     0    0.761586    -0.468313     1.599085
+!J     0    0.770752    -0.498652     1.587608
+!J     0    0.780029    -0.526582     1.572244
+!J     0    0.789418    -0.551874     1.552634
+!J     0    0.798919    -0.574302     1.528419
+!J     0    0.808535    -0.593642     1.499246
+!J     0    0.818266    -0.609679     1.464777
+!J     0    0.828115    -0.622205     1.424699
+!J     0    0.838082    -0.631031     1.378736
+!J     0    0.848169    -0.635986     1.326658
+!J     0    0.858378    -0.636928     1.268292
+!J     0    0.868709    -0.633744     1.203542
+!J     0    0.879165    -0.626361     1.132392
+!J     0    0.889747    -0.614745     1.054926
+!J     0    0.900456    -0.598916     0.971339
+!J     0    0.911294    -0.578942     0.881943
+!J     0    0.922262    -0.554955     0.787185
+!J     0    0.933362    -0.527145     0.687648
+!J     0    0.944596    -0.495770     0.584061
+!J     0    0.955966    -0.461153     0.477295
+!J     0    0.967472    -0.423684     0.368369
+!J     0    0.979116    -0.383819     0.258435
+!J     0    0.990901    -0.342074     0.148774
+!J     0    1.002827    -0.299024     0.040774
+!J     0    1.014897    -0.255287    -0.064088
+!J     0    1.027112    -0.211523    -0.164276
+!J     0    1.039475    -0.168414    -0.258230
+!J     0    1.051986    -0.126653    -0.344400
+!J     0    1.064648    -0.086926    -0.421296
+!J     0    1.077462    -0.049892    -0.487534
+!J     0    1.090430    -0.016165    -0.541885
+!J     0    1.103554     0.013707    -0.583330
+!J     0    1.116837     0.039265    -0.611111
+!J     0    1.130279     0.060155    -0.624785
+!J     0    1.143883     0.076153    -0.624264
+!J     0    1.157651     0.087176    -0.609861
+!J     0    1.171584     0.093297    -0.582316
+!J     0    1.185686     0.094752    -0.542817
+!J     0    1.199956     0.091949    -0.493010
+!J     0    1.214399     0.085458    -0.434981
+!J     0    1.229016     0.076002    -0.371222
+!J     0    1.243808     0.064421    -0.304514
+!J     0    1.258779     0.051630    -0.237826
+!J     0    1.273929     0.038586    -0.174221
+!J     0    1.289262     0.026244    -0.116729
+!J     0    1.304780     0.015495    -0.068218
+!J     0    1.320484     0.007140    -0.031259
+!J     0    1.328407     0.004071    -0.017801
+!J     0    1.336377     0.001828    -0.007994
+!J     0    1.344396     0.000460    -0.002015
+!J     0    1.352462     0.000000    -0.000000
+!J     0    1.360577    -0.000000    -0.000000
+!J     0    1.368740    -0.000000    -0.000000
+!J     0    1.376953    -0.000000    -0.000000
+!J     0    1.385215    -0.000000    -0.000000
+!J     0    1.393526    -0.000000    -0.000000
+!J     0    1.401887    -0.000000    -0.000000
+!J     0    1.410298    -0.000000    -0.000000
+!J     0    1.418760    -0.000000    -0.000000
+!J     0    1.427273    -0.000000    -0.000000
+!J     0    1.435836    -0.000000    -0.000000
+!J     0    1.444451    -0.000000    -0.000000
+!J     0    1.453118    -0.000000    -0.000000
+!J     0    1.461837    -0.000000    -0.000000
+!J     0    1.470608    -0.000000    -0.000000
+!J     0    1.479431    -0.000000    -0.000000
+!J     0    1.488308    -0.000000    -0.000000
+!J     0    1.497238    -0.000000    -0.000000
+!J     0    1.506221    -0.000000    -0.000000
+!J     0    1.515259    -0.000000    -0.000000
+!J     0    1.524350    -0.000000    -0.000000
+!J     0    1.533496    -0.000000    -0.000000
+!J     0    1.542697    -0.000000    -0.000000
+!J     0    1.551953    -0.000000    -0.000000
+!J     0    1.561265    -0.000000    -0.000000
+!J     0    1.570633    -0.000000    -0.000000
+!J     0    1.580056    -0.000000    -0.000000
+
+
+n= 2,  l= 1, all-electron wave function, pseudo w-f
+
+&    11    0.009958     0.001474     0.000456
+&    11    0.020051     0.005706     0.001848
+&    11    0.030117     0.012345     0.004165
+&    11    0.040134     0.021059     0.007385
+&    11    0.050377     0.031869     0.011613
+&    11    0.060642     0.044377     0.016788
+&    11    0.070847     0.058250     0.022850
+&    11    0.081297     0.073729     0.029988
+&    11    0.091629     0.090112     0.037953
+&    11    0.102046     0.107542     0.046876
+&    11    0.112296     0.125434     0.056507
+&    11    0.122839     0.144463     0.067268
+&    11    0.133569     0.164350     0.079080
+&    11    0.144371     0.184772     0.091813
+&    11    0.155116     0.205375     0.105283
+&    11    0.165666     0.225789     0.119252
+&    11    0.175879     0.245644     0.133440
+&    11    0.186721     0.266745     0.149180
+&    11    0.197049     0.286803     0.164783
+&    11    0.207949     0.307860     0.181851
+&    11    0.218143     0.327401     0.198331
+&    11    0.228836     0.347694     0.216112
+&    11    0.240054     0.368707     0.235257
+&    11    0.250319     0.387655     0.253174
+&    11    0.261024     0.407093     0.272213
+&    11    0.272186     0.426983     0.292402
+&    11    0.283826     0.447282     0.313761
+&    11    0.294198     0.464968     0.333007
+&    11    0.304949     0.482883     0.353120
+&    11    0.316094     0.500988     0.374091
+&    11    0.327645     0.519241     0.395905
+&    11    0.339619     0.537597     0.418535
+&    11    0.349930     0.552936     0.437992
+&    11    0.360555     0.568284     0.457962
+&    11    0.371502     0.583608     0.478412
+&    11    0.382782     0.598876     0.499300
+&    11    0.394404     0.614055     0.520579
+&    11    0.406379     0.629110     0.542192
+&    11    0.418717     0.644005     0.564074
+&    11    0.428857     0.655782     0.581725
+&    11    0.439243     0.667413     0.599461
+&    11    0.449880     0.678879     0.617236
+&    11    0.460775     0.690159     0.635001
+&    11    0.471933     0.701232     0.652704
+&    11    0.483362     0.712076     0.670290
+&    11    0.495067     0.722667     0.687698
+&    11    0.507056     0.732982     0.704866
+&    11    0.519336     0.742997     0.721729
+&    11    0.531912     0.752687     0.738218
+&    11    0.544794     0.762028     0.754262
+&    11    0.557987     0.770994     0.769790
+&    11    0.568091     0.777457     0.781053
+&    11    0.578378     0.783685     0.791953
+&    11    0.588852     0.789668     0.802459
+&    11    0.599515     0.795395     0.812539
+&    11    0.610371     0.800857     0.822164
+&    11    0.621423     0.806044     0.831303
+&    11    0.632676     0.810946     0.839926
+&    11    0.644133     0.815554     0.848007
+&    11    0.655797     0.819861     0.855517
+&    11    0.667672     0.823857     0.862433
+&    11    0.679763     0.827534     0.868730
+&    11    0.692072     0.830885     0.874388
+&    11    0.704604     0.833904     0.879387
+&    11    0.717363     0.836582     0.883711
+&    11    0.730353     0.838915     0.887347
+&    11    0.743579     0.840896     0.890285
+&    11    0.757044     0.842520     0.892517
+&    11    0.770752     0.843783     0.894040
+&    11    0.784709     0.844680     0.894855
+&    11    0.798919     0.845208     0.894965
+&    11    0.813386     0.845364     0.894378
+&    11    0.828115     0.845146     0.893105
+&    11    0.843111     0.844551     0.891163
+&    11    0.853258     0.843945     0.889506
+&    11    0.863528     0.843170     0.887566
+&    11    0.873922     0.842227     0.885352
+&    11    0.884440     0.841116     0.882870
+&    11    0.895085     0.839836     0.880130
+&    11    0.905859     0.838388     0.877141
+&    11    0.916761     0.836773     0.873912
+&    11    0.927796     0.834991     0.870455
+&    11    0.938963     0.833041     0.866780
+&    11    0.950264     0.830926     0.862898
+&    11    0.961701     0.828645     0.858820
+&    11    0.973276     0.826200     0.854559
+&    11    0.984991     0.823591     0.850125
+&    11    0.996846     0.820820     0.845531
+&    11    1.008844     0.817888     0.840789
+&    11    1.020987     0.814796     0.835911
+&    11    1.033275     0.811546     0.830907
+&    11    1.045712     0.808138     0.825789
+&    11    1.058298     0.804575     0.820568
+&    11    1.071035     0.800859     0.815254
+&    11    1.083926     0.796991     0.809856
+&    11    1.096973     0.792973     0.804384
+&    11    1.110176     0.788807     0.798846
+&    11    1.123538     0.784495     0.793249
+&    11    1.137061     0.780039     0.787599
+&    11    1.150746     0.775442     0.781902
+&    11    1.164597     0.770706     0.776162
+&    11    1.178614     0.765833     0.770382
+&    11    1.192800     0.760826     0.764564
+&    11    1.207156     0.755687     0.758710
+&    11    1.221686     0.750420     0.752819
+&    11    1.236390     0.745026     0.746891
+&    11    1.251271     0.739508     0.740923
+&    11    1.266331     0.733870     0.734912
+&    11    1.281573     0.728114     0.728855
+&    11    1.296998     0.722243     0.722747
+&    11    1.312608     0.716260     0.716584
+&    11    1.328407     0.710168     0.710361
+&    11    1.344396     0.703971     0.704071
+&    11    1.360577     0.697671     0.697711
+&    11    1.376953     0.691272     0.691276
+&    11    1.393526     0.684776     0.684761
+&    11    1.410298     0.678188     0.678165
+&    11    1.427273     0.671510     0.671485
+&    11    1.444451     0.664746     0.664721
+&    11    1.461837     0.657900     0.657874
+&    11    1.479431     0.650973     0.650948
+&    11    1.497238     0.643971     0.643946
+&    11    1.515259     0.636896     0.636872
+&    11    1.533496     0.629752     0.629728
+&    11    1.551953     0.622542     0.622518
+&    11    1.570633     0.615270     0.615247
+&    11    1.589537     0.607939     0.607916
+&    11    1.608668     0.600553     0.600531
+&    11    1.628030     0.593116     0.593093
+&    11    1.647625     0.585630     0.585608
+&    11    1.667456     0.578099     0.578077
+&    11    1.677461     0.574318     0.574296
+&    11    1.687526     0.570527     0.570506
+&    11    1.697651     0.566727     0.566705
+&    11    1.707837     0.562917     0.562896
+&    11    1.718084     0.559099     0.559079
+&    11    1.728392     0.555273     0.555253
+&    11    1.738763     0.551440     0.551419
+&    11    1.749195     0.547599     0.547578
+&    11    1.759690     0.543751     0.543730
+&    11    1.770249     0.539897     0.539876
+&    11    1.780870     0.536036     0.536016
+&    11    1.791555     0.532170     0.532151
+&    11    1.802305     0.528300     0.528280
+&    11    1.813118     0.524424     0.524404
+&    11    1.823997     0.520544     0.520525
+&    11    1.834941     0.516660     0.516641
+&    11    1.845951     0.512773     0.512754
+&    11    1.857026     0.508883     0.508864
+&    11    1.868169     0.504990     0.504971
+&    11    1.879378     0.501095     0.501077
+&    11    1.890654     0.497199     0.497180
+&    11    1.901998     0.493301     0.493282
+&    11    1.913410     0.489402     0.489383
+&    11    1.924890     0.485502     0.485484
+&    11    1.936440     0.481602     0.481585
+&    11    1.948058     0.477703     0.477685
+&    11    1.959747     0.473805     0.473787
+&    11    1.971505     0.469907     0.469890
+&    11    1.983334     0.466011     0.465994
+&    11    1.995234     0.462117     0.462100
+&    11    2.007206     0.458225     0.458208
+&    11    2.019249     0.454336     0.454319
+&    11    2.031364     0.450449     0.450433
+&    11    2.043552     0.446567     0.446550
+&    11    2.055814     0.442688     0.442671
+&    11    2.068149     0.438813     0.438797
+&    11    2.080558     0.434943     0.434927
+&    11    2.093041     0.431078     0.431062
+&    11    2.105599     0.427218     0.427202
+&    11    2.118233     0.423364     0.423348
+&    11    2.130942     0.419516     0.419500
+&    11    2.143728     0.415674     0.415659
+&    11    2.156590     0.411839     0.411824
+&    11    2.169530     0.408012     0.407996
+&    11    2.182547     0.404191     0.404176
+&    11    2.195642     0.400379     0.400364
+&    11    2.208816     0.396575     0.396560
+&    11    2.222069     0.392779     0.392765
+&    11    2.235401     0.388992     0.388978
+&    11    2.248814     0.385215     0.385201
+&    11    2.262307     0.381447     0.381433
+&    11    2.275880     0.377689     0.377675
+&    11    2.289536     0.373941     0.373927
+&    11    2.303273     0.370204     0.370190
+&    11    2.317093     0.366477     0.366464
+&    11    2.330995     0.362762     0.362748
+&    11    2.344981     0.359058     0.359045
+&    11    2.359051     0.355366     0.355353
+&    11    2.373205     0.351686     0.351673
+&    11    2.387444     0.348018     0.348005
+&    11    2.401769     0.344363     0.344350
+&    11    2.416180     0.340721     0.340709
+&    11    2.430677     0.337093     0.337080
+&    11    2.445261     0.333478     0.333465
+&    11    2.459932     0.329876     0.329864
+&    11    2.474692     0.326289     0.326277
+&    11    2.489540     0.322716     0.322704
+&    11    2.504477     0.319158     0.319146
+&    11    2.519504     0.315615     0.315603
+&    11    2.534621     0.312086     0.312075
+&    11    2.549829     0.308574     0.308562
+&    11    2.565128     0.305077     0.305065
+&    11    2.580519     0.301595     0.301584
+&    11    2.596002     0.298130     0.298119
+&    11    2.611578     0.294682     0.294671
+&    11    2.627247     0.291250     0.291239
+&    11    2.643011     0.287835     0.287824
+&    11    2.658869     0.284437     0.284426
+&    11    2.674822     0.281056     0.281045
+&    11    2.690871     0.277693     0.277682
+&    11    2.707016     0.274347     0.274337
+&    11    2.723258     0.271020     0.271009
+&    11    2.739598     0.267710     0.267700
+&    11    2.756036     0.264419     0.264409
+&    11    2.772572     0.261147     0.261137
+&    11    2.789207     0.257893     0.257883
+&    11    2.805942     0.254658     0.254649
+&    11    2.822778     0.251443     0.251433
+&    11    2.839715     0.248246     0.248237
+&    11    2.856753     0.245069     0.245060
+&    11    2.873894     0.241912     0.241903
+&    11    2.891137     0.238774     0.238765
+&    11    2.908484     0.235657     0.235648
+&    11    2.925935     0.232559     0.232550
+&    11    2.943490     0.229482     0.229473
+&    11    2.961151     0.226425     0.226416
+&    11    2.978918     0.223389     0.223380
+&    11    2.996792     0.220373     0.220365
+&    11    3.014772     0.217379     0.217370
+&    11    3.032861     0.214405     0.214396
+&    11    3.051058     0.211452     0.211444
+&    11    3.069365     0.208521     0.208512
+&    11    3.087781     0.205611     0.205602
+&    11    3.106307     0.202722     0.202714
+&    11    3.124945     0.199855     0.199847
+&    11    3.143695     0.197009     0.197002
+&    11    3.162557     0.194186     0.194178
+&    11    3.181532     0.191384     0.191376
+&    11    3.200622     0.188604     0.188597
+&    11    3.219825     0.185846     0.185839
+&    11    3.239144     0.183111     0.183104
+&    11    3.258579     0.180398     0.180390
+&    11    3.278131     0.177707     0.177699
+&    11    3.297799     0.175038     0.175031
+&    11    3.317586     0.172392     0.172385
+&    11    3.337492     0.169768     0.169762
+&    11    3.357517     0.167168     0.167161
+&    11    3.377662     0.164589     0.164583
+&    11    3.397928     0.162034     0.162027
+&    11    3.418315     0.159501     0.159495
+&    11    3.438825     0.156991     0.156985
+&    11    3.459458     0.154505     0.154498
+&    11    3.480215     0.152041     0.152034
+&    11    3.501096     0.149600     0.149594
+&    11    3.522103     0.147182     0.147176
+&    11    3.543235     0.144787     0.144781
+&    11    3.564495     0.142416     0.142410
+&    11    3.585882     0.140067     0.140061
+&    11    3.607397     0.137742     0.137736
+&    11    3.629041     0.135440     0.135434
+&    11    3.650816     0.133161     0.133155
+&    11    3.672721     0.130905     0.130900
+&    11    3.694757     0.128673     0.128668
+&    11    3.716925     0.126464     0.126459
+&    11    3.739227     0.124279     0.124273
+&    11    3.761662     0.122116     0.122111
+&    11    3.784232     0.119977     0.119972
+&    11    3.806938     0.117861     0.117856
+&    11    3.829779     0.115769     0.115764
+&    11    3.852758     0.113700     0.113695
+&    11    3.875875     0.111654     0.111649
+&    11    3.899130     0.109632     0.109627
+&    11    3.922525     0.107633     0.107628
+&    11    3.946060     0.105657     0.105652
+&    11    3.969736     0.103704     0.103700
+&    11    3.993555     0.101775     0.101770
+&    11    4.017516     0.099869     0.099864
+&    11    4.041621     0.097986     0.097981
+&    11    4.065871     0.096126     0.096122
+&    11    4.090266     0.094289     0.094285
+&    11    4.114808     0.092476     0.092471
+&    11    4.139496     0.090685     0.090681
+&    11    4.164333     0.088917     0.088913
+&    11    4.189319     0.087173     0.087169
+&    11    4.214455     0.085451     0.085447
+&    11    4.239742     0.083752     0.083748
+&    11    4.265180     0.082076     0.082072
+&    11    4.290772     0.080422     0.080419
+&    11    4.316516     0.078792     0.078788
+&    11    4.342415     0.077183     0.077180
+&    11    4.368470     0.075598     0.075594
+&    11    4.394681     0.074034     0.074031
+&    11    4.421049     0.072493     0.072490
+&    11    4.447575     0.070974     0.070971
+&    11    4.474260     0.069478     0.069475
+&    11    4.501106     0.068003     0.068000
+&    11    4.528113     0.066551     0.066548
+&    11    4.555281     0.065120     0.065117
+&    11    4.582613     0.063711     0.063708
+&    11    4.610109     0.062323     0.062320
+&    11    4.637769     0.060958     0.060955
+&    11    4.665596     0.059613     0.059610
+&    11    4.693589     0.058290     0.058287
+&    11    4.721751     0.056988     0.056985
+&    11    4.750082     0.055707     0.055704
+&    11    4.778582     0.054446     0.054444
+&    11    4.807254     0.053207     0.053204
+&    11    4.836097     0.051988     0.051985
+&    11    4.865114     0.050789     0.050787
+&    11    4.894304     0.049611     0.049608
+&    11    4.923670     0.048453     0.048450
+&    11    4.953212     0.047315     0.047312
+&    11    4.982931     0.046196     0.046194
+&    11    5.012829     0.045097     0.045095
+&    11    5.042906     0.044018     0.044016
+&    11    5.073163     0.042958     0.042956
+&    11    5.103602     0.041917     0.041915
+&    11    5.134224     0.040895     0.040893
+&    11    5.165029     0.039892     0.039890
+&    11    5.196020     0.038907     0.038905
+&    11    5.227196     0.037941     0.037939
+&    11    5.258559     0.036993     0.036991
+&    11    5.290110     0.036063     0.036061
+&    11    5.321851     0.035150     0.035148
+&    11    5.353782     0.034256     0.034254
+&    11    5.385905     0.033378     0.033377
+&    11    5.418220     0.032518     0.032516
+&    11    5.450729     0.031675     0.031674
+&    11    5.483434     0.030849     0.030847
+&    11    5.516334     0.030039     0.030038
+&    11    5.549432     0.029246     0.029245
+&    11    5.582729     0.028469     0.028468
+&    11    5.616225     0.027708     0.027707
+&    11    5.649923     0.026963     0.026962
+&    11    5.683822     0.026234     0.026233
+&    11    5.717925     0.025520     0.025519
+&    11    5.752233     0.024821     0.024820
+&    11    5.786746     0.024137     0.024136
+&    11    5.821467     0.023468     0.023467
+&    11    5.856395     0.022814     0.022813
+&    11    5.891534     0.022174     0.022172
+&    11    5.926883     0.021548     0.021547
+&    11    5.962444     0.020936     0.020935
+&    11    5.998219     0.020338     0.020337
+
+
+scattering, iprj= 2,  l= 1, all-electron wave function, pseudo w-f
+
+&    21    0.009958     0.000863     0.000275
+&    21    0.020051     0.003342     0.001112
+&    21    0.030117     0.007229     0.002506
+&    21    0.040134     0.012329     0.004443
+&    21    0.050377     0.018654     0.006985
+&    21    0.060642     0.025969     0.010094
+&    21    0.070847     0.034078     0.013734
+&    21    0.081297     0.043118     0.018017
+&    21    0.091629     0.052678     0.022791
+&    21    0.102046     0.062838     0.028133
+&    21    0.112296     0.073256     0.033893
+&    21    0.122839     0.084320     0.040318
+&    21    0.133569     0.095865     0.047362
+&    21    0.144371     0.107700     0.054941
+&    21    0.155116     0.119615     0.062943
+&    21    0.165666     0.131395     0.071225
+&    21    0.175879     0.142825     0.079619
+&    21    0.186721     0.154940     0.088909
+&    21    0.197049     0.166421     0.098095
+&    21    0.207949     0.178436     0.108115
+&    21    0.218143     0.189545     0.117761
+&    21    0.228836     0.201037     0.128136
+&    21    0.240054     0.212885     0.139267
+&    21    0.250319     0.223517     0.149646
+&    21    0.261024     0.234369     0.160631
+&    21    0.272186     0.245410     0.172229
+&    21    0.283826     0.256603     0.184440
+&    21    0.294198     0.266289     0.195387
+&    21    0.304949     0.276029     0.206768
+&    21    0.316094     0.285791     0.218566
+&    21    0.327645     0.295543     0.230760
+&    21    0.339619     0.305246     0.243319
+&    21    0.349930     0.313266     0.254039
+&    21    0.360555     0.321201     0.264960
+&    21    0.371502     0.329024     0.276053
+&    21    0.382782     0.336709     0.287282
+&    21    0.394404     0.344226     0.298606
+&    21    0.406379     0.351546     0.309978
+&    21    0.418717     0.358638     0.321347
+&    21    0.428857     0.364127     0.330401
+&    21    0.439243     0.369431     0.339384
+&    21    0.449880     0.374534     0.348261
+&    21    0.460775     0.379417     0.356994
+&    21    0.471933     0.384061     0.365544
+&    21    0.483362     0.388445     0.373869
+&    21    0.495067     0.392549     0.381924
+&    21    0.507056     0.396352     0.389663
+&    21    0.519336     0.399832     0.397038
+&    21    0.531912     0.402966     0.403999
+&    21    0.544794     0.405730     0.410495
+&    21    0.557987     0.408102     0.416474
+&    21    0.568091     0.409609     0.420586
+&    21    0.578378     0.410872     0.424355
+&    21    0.588852     0.411880     0.427758
+&    21    0.599515     0.412624     0.430773
+&    21    0.610371     0.413094     0.433378
+&    21    0.621423     0.413279     0.435552
+&    21    0.632676     0.413170     0.437274
+&    21    0.644133     0.412757     0.438523
+&    21    0.655797     0.412029     0.439281
+&    21    0.667672     0.410978     0.439530
+&    21    0.679763     0.409594     0.439252
+&    21    0.692072     0.407868     0.438431
+&    21    0.704604     0.405789     0.437056
+&    21    0.717363     0.403351     0.435112
+&    21    0.730353     0.400543     0.432589
+&    21    0.743579     0.397357     0.429481
+&    21    0.757044     0.393786     0.425779
+&    21    0.770752     0.389820     0.421482
+&    21    0.784709     0.385453     0.416586
+&    21    0.798919     0.380676     0.411093
+&    21    0.813386     0.375484     0.405007
+&    21    0.828115     0.369868     0.398333
+&    21    0.843111     0.363822     0.391080
+&    21    0.853258     0.359550     0.385927
+&    21    0.863528     0.355083     0.380525
+&    21    0.873922     0.350418     0.374877
+&    21    0.884440     0.345555     0.368989
+&    21    0.895085     0.340492     0.362864
+&    21    0.905859     0.335228     0.356508
+&    21    0.916761     0.329761     0.349927
+&    21    0.927796     0.324090     0.343125
+&    21    0.938963     0.318214     0.336108
+&    21    0.950264     0.312132     0.328882
+&    21    0.961701     0.305844     0.321452
+&    21    0.973276     0.299347     0.313826
+&    21    0.984991     0.292642     0.306007
+&    21    0.996846     0.285728     0.298003
+&    21    1.008844     0.278605     0.289818
+&    21    1.020987     0.271272     0.281457
+&    21    1.033275     0.263729     0.272925
+&    21    1.045712     0.255975     0.264226
+&    21    1.058298     0.248012     0.255366
+&    21    1.071035     0.239838     0.246346
+&    21    1.083926     0.231455     0.237170
+&    21    1.096973     0.222863     0.227842
+&    21    1.110176     0.214062     0.218361
+&    21    1.123538     0.205053     0.208731
+&    21    1.137061     0.195837     0.198952
+&    21    1.150746     0.186415     0.189024
+&    21    1.164597     0.176789     0.178948
+&    21    1.178614     0.166959     0.168723
+&    21    1.192800     0.156928     0.158348
+&    21    1.207156     0.146697     0.147822
+&    21    1.221686     0.136268     0.137143
+&    21    1.236390     0.125644     0.126311
+&    21    1.251271     0.114827     0.115323
+&    21    1.266331     0.103820     0.104179
+&    21    1.281573     0.092624     0.092876
+&    21    1.296998     0.081245     0.081415
+&    21    1.312608     0.069685     0.069794
+&    21    1.328407     0.057947     0.058013
+&    21    1.344396     0.046036     0.046073
+&    21    1.360577     0.033956     0.033975
+&    21    1.376953     0.021711     0.021720
+&    21    1.393526     0.009307     0.009310
+&    21    1.410298    -0.003252    -0.003251
+&    21    1.427273    -0.015961    -0.015960
+&    21    1.444451    -0.028812    -0.028812
+&    21    1.461837    -0.041802    -0.041800
+&    21    1.479431    -0.054922    -0.054920
+&    21    1.497238    -0.068165    -0.068163
+&    21    1.515259    -0.081526    -0.081523
+&    21    1.533496    -0.094995    -0.094992
+&    21    1.551953    -0.108565    -0.108561
+&    21    1.570633    -0.122228    -0.122223
+&    21    1.589537    -0.135973    -0.135969
+&    21    1.608668    -0.149793    -0.149788
+&    21    1.628030    -0.163676    -0.163671
+&    21    1.647625    -0.177613    -0.177607
+&    21    1.667456    -0.191593    -0.191586
+&    21    1.677461    -0.198595    -0.198588
+&    21    1.687526    -0.205604    -0.205597
+&    21    1.697651    -0.212617    -0.212610
+&    21    1.707837    -0.219634    -0.219626
+&    21    1.718084    -0.226652    -0.226645
+&    21    1.728392    -0.233670    -0.233663
+&    21    1.738763    -0.240687    -0.240679
+&    21    1.749195    -0.247701    -0.247693
+&    21    1.759690    -0.254709    -0.254701
+&    21    1.770249    -0.261711    -0.261703
+&    21    1.780870    -0.268704    -0.268696
+&    21    1.791555    -0.275687    -0.275678
+&    21    1.802305    -0.282658    -0.282649
+&    21    1.813118    -0.289614    -0.289605
+&    21    1.823997    -0.296554    -0.296545
+&    21    1.834941    -0.303476    -0.303467
+&    21    1.845951    -0.310378    -0.310369
+&    21    1.857026    -0.317258    -0.317249
+&    21    1.868169    -0.324113    -0.324104
+&    21    1.879378    -0.330942    -0.330933
+&    21    1.890654    -0.337743    -0.337733
+&    21    1.901998    -0.344512    -0.344502
+&    21    1.913410    -0.351248    -0.351238
+&    21    1.924890    -0.357949    -0.357939
+&    21    1.936440    -0.364612    -0.364602
+&    21    1.948058    -0.371235    -0.371224
+&    21    1.959747    -0.377815    -0.377804
+&    21    1.971505    -0.384349    -0.384339
+&    21    1.983334    -0.390836    -0.390826
+&    21    1.995234    -0.397273    -0.397263
+&    21    2.007206    -0.403657    -0.403646
+&    21    2.019249    -0.409986    -0.409975
+&    21    2.031364    -0.416256    -0.416245
+&    21    2.043552    -0.422465    -0.422454
+&    21    2.055814    -0.428611    -0.428600
+&    21    2.068149    -0.434690    -0.434679
+&    21    2.080558    -0.440699    -0.440688
+&    21    2.093041    -0.446636    -0.446625
+&    21    2.105599    -0.452498    -0.452487
+&    21    2.118233    -0.458282    -0.458271
+&    21    2.130942    -0.463984    -0.463973
+&    21    2.143728    -0.469602    -0.469591
+&    21    2.156590    -0.475133    -0.475122
+&    21    2.169530    -0.480572    -0.480561
+&    21    2.182547    -0.485918    -0.485907
+&    21    2.195642    -0.491167    -0.491156
+&    21    2.208816    -0.496316    -0.496305
+&    21    2.222069    -0.501360    -0.501349
+&    21    2.235401    -0.506298    -0.506287
+&    21    2.248814    -0.511125    -0.511115
+&    21    2.262307    -0.515839    -0.515828
+&    21    2.275880    -0.520435    -0.520424
+&    21    2.289536    -0.524910    -0.524900
+&    21    2.303273    -0.529261    -0.529251
+&    21    2.317093    -0.533484    -0.533474
+&    21    2.330995    -0.537576    -0.537566
+&    21    2.344981    -0.541533    -0.541522
+&    21    2.359051    -0.545350    -0.545340
+&    21    2.373205    -0.549026    -0.549016
+&    21    2.387444    -0.552555    -0.552545
+&    21    2.401769    -0.555935    -0.555925
+&    21    2.416180    -0.559160    -0.559151
+&    21    2.430677    -0.562229    -0.562220
+&    21    2.445261    -0.565136    -0.565127
+&    21    2.459932    -0.567879    -0.567870
+&    21    2.474692    -0.570452    -0.570444
+&    21    2.489540    -0.572853    -0.572845
+&    21    2.504477    -0.575078    -0.575070
+&    21    2.519504    -0.577122    -0.577114
+&    21    2.534621    -0.578983    -0.578975
+&    21    2.549829    -0.580655    -0.580647
+&    21    2.565128    -0.582135    -0.582128
+&    21    2.580519    -0.583420    -0.583413
+&    21    2.596002    -0.584505    -0.584499
+&    21    2.611578    -0.585387    -0.585381
+&    21    2.627247    -0.586062    -0.586056
+&    21    2.643011    -0.586526    -0.586520
+&    21    2.658869    -0.586775    -0.586769
+&    21    2.674822    -0.586805    -0.586800
+&    21    2.690871    -0.586613    -0.586609
+&    21    2.707016    -0.586196    -0.586191
+&    21    2.723258    -0.585548    -0.585544
+&    21    2.739598    -0.584667    -0.584664
+&    21    2.756036    -0.583550    -0.583547
+&    21    2.772572    -0.582192    -0.582189
+&    21    2.789207    -0.580590    -0.580588
+&    21    2.805942    -0.578741    -0.578739
+&    21    2.822778    -0.576641    -0.576640
+&    21    2.839715    -0.574288    -0.574287
+&    21    2.856753    -0.571677    -0.571676
+&    21    2.873894    -0.568806    -0.568806
+&    21    2.891137    -0.565671    -0.565671
+&    21    2.908484    -0.562270    -0.562271
+&    21    2.925935    -0.558600    -0.558601
+&    21    2.943490    -0.554658    -0.554660
+&    21    2.961151    -0.550441    -0.550443
+&    21    2.978918    -0.545947    -0.545950
+&    21    2.996792    -0.541173    -0.541177
+&    21    3.014772    -0.536118    -0.536121
+&    21    3.032861    -0.530778    -0.530782
+&    21    3.051058    -0.525152    -0.525157
+&    21    3.069365    -0.519239    -0.519244
+&    21    3.087781    -0.513035    -0.513041
+&    21    3.106307    -0.506540    -0.506547
+&    21    3.124945    -0.499753    -0.499760
+&    21    3.143695    -0.492672    -0.492679
+&    21    3.162557    -0.485296    -0.485304
+&    21    3.181532    -0.477624    -0.477633
+&    21    3.200622    -0.469656    -0.469666
+&    21    3.219825    -0.461392    -0.461402
+&    21    3.239144    -0.452830    -0.452841
+&    21    3.258579    -0.443972    -0.443983
+&    21    3.278131    -0.434817    -0.434829
+&    21    3.297799    -0.425367    -0.425379
+&    21    3.317586    -0.415621    -0.415633
+&    21    3.337492    -0.405580    -0.405594
+&    21    3.357517    -0.395247    -0.395261
+&    21    3.377662    -0.384623    -0.384638
+&    21    3.397928    -0.373709    -0.373725
+&    21    3.418315    -0.362509    -0.362524
+&    21    3.438825    -0.351023    -0.351039
+&    21    3.459458    -0.339255    -0.339272
+&    21    3.480215    -0.327209    -0.327226
+&    21    3.501096    -0.314887    -0.314905
+&    21    3.522103    -0.302293    -0.302312
+&    21    3.543235    -0.289432    -0.289452
+&    21    3.564495    -0.276308    -0.276328
+&    21    3.585882    -0.262926    -0.262946
+&    21    3.607397    -0.249291    -0.249312
+&    21    3.629041    -0.235408    -0.235429
+&    21    3.650816    -0.221284    -0.221306
+&    21    3.672721    -0.206925    -0.206947
+&    21    3.694757    -0.192337    -0.192360
+&    21    3.716925    -0.177529    -0.177552
+&    21    3.739227    -0.162506    -0.162531
+&    21    3.761662    -0.147279    -0.147303
+&    21    3.784232    -0.131854    -0.131879
+&    21    3.806938    -0.116241    -0.116266
+&    21    3.829779    -0.100448    -0.100474
+&    21    3.852758    -0.084487    -0.084513
+&    21    3.875875    -0.068366    -0.068393
+&    21    3.899130    -0.052096    -0.052124
+&    21    3.922525    -0.035689    -0.035717
+&    21    3.946060    -0.019156    -0.019184
+&    21    3.969736    -0.002508    -0.002537
+&    21    3.993555     0.014241     0.014212
+&    21    4.017516     0.031079     0.031050
+&    21    4.041621     0.047994     0.047964
+&    21    4.065871     0.064970     0.064940
+&    21    4.090266     0.081994     0.081964
+&    21    4.114808     0.099051     0.099021
+&    21    4.139496     0.116127     0.116097
+&    21    4.164333     0.133205     0.133175
+&    21    4.189319     0.150271     0.150240
+&    21    4.214455     0.167307     0.167276
+&    21    4.239742     0.184296     0.184266
+&    21    4.265180     0.201223     0.201192
+&    21    4.290772     0.218068     0.218037
+&    21    4.316516     0.234815     0.234784
+&    21    4.342415     0.251444     0.251413
+&    21    4.368470     0.267938     0.267907
+&    21    4.394681     0.284276     0.284246
+&    21    4.421049     0.300440     0.300410
+&    21    4.447575     0.316411     0.316380
+&    21    4.474260     0.332167     0.332137
+&    21    4.501106     0.347688     0.347659
+&    21    4.528113     0.362955     0.362925
+&    21    4.555281     0.377945     0.377916
+&    21    4.582613     0.392639     0.392610
+&    21    4.610109     0.407014     0.406986
+&    21    4.637769     0.421049     0.421022
+&    21    4.665596     0.434723     0.434696
+&    21    4.693589     0.448013     0.447987
+&    21    4.721751     0.460898     0.460872
+&    21    4.750082     0.473356     0.473331
+&    21    4.778582     0.485364     0.485340
+&    21    4.807254     0.496901     0.496878
+&    21    4.836097     0.507945     0.507922
+&    21    4.865114     0.518473     0.518451
+&    21    4.894304     0.528463     0.528442
+&    21    4.923670     0.537895     0.537874
+&    21    4.953212     0.546745     0.546726
+&    21    4.982931     0.554994     0.554975
+&    21    5.012829     0.562619     0.562601
+&    21    5.042906     0.569600     0.569584
+&    21    5.073163     0.575916     0.575901
+&    21    5.103602     0.581548     0.581534
+&    21    5.134224     0.586475     0.586463
+&    21    5.165029     0.590680     0.590668
+&    21    5.196020     0.594142     0.594132
+&    21    5.227196     0.596844     0.596835
+&    21    5.258559     0.598770     0.598762
+&    21    5.290110     0.599902     0.599896
+&    21    5.321851     0.600225     0.600220
+&    21    5.353782     0.599724     0.599720
+&    21    5.385905     0.598384     0.598383
+&    21    5.418220     0.596195     0.596194
+&    21    5.450729     0.593142     0.593143
+&    21    5.483434     0.589216     0.589219
+&    21    5.516334     0.584407     0.584411
+&    21    5.549432     0.578707     0.578713
+&    21    5.582729     0.572109     0.572116
+&    21    5.616225     0.564606     0.564616
+&    21    5.649923     0.556196     0.556207
+&    21    5.683822     0.546876     0.546888
+&    21    5.717925     0.536643     0.536658
+&    21    5.752233     0.525500     0.525516
+&    21    5.786746     0.513449     0.513466
+&    21    5.821467     0.500493     0.500512
+&    21    5.856395     0.486638     0.486659
+&    21    5.891534     0.471893     0.471916
+&    21    5.926883     0.456268     0.456292
+&    21    5.962444     0.439774     0.439799
+&    21    5.998219     0.422425     0.422452
+
+
+!J     1    0.009958     0.002057    -0.000854
+!J     1    0.017897     0.006638    -0.002757
+!J     1    0.025933     0.013922    -0.005782
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+!J     1    0.049778     0.050992    -0.021169
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+!J     1    0.114330     0.259565    -0.107020
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+!J     1    0.761586     0.183048     1.636378
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+!J     1    1.360577     0.034219    -0.160559
+!J     1    1.368740     0.029688    -0.136830
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+!J     1    1.385215     0.020665    -0.092429
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+!J     1    1.410298     0.008887    -0.038448
+!J     1    1.418760     0.005830    -0.025007
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+!J     1    1.570633     0.000000    -0.000000
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+
+
+scattering, iprj= 1,  l= 2, all-electron wave function, pseudo w-f
+
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+&    12    0.112296     0.000151     0.000067
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+&    12    0.186721     0.000591     0.000324
+&    12    0.197049     0.000680     0.000383
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+&    12    0.218143     0.000884     0.000525
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+&    12    0.261024     0.001394     0.000912
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+&    12    0.294198     0.001876     0.001312
+&    12    0.304949     0.002048     0.001461
+&    12    0.316094     0.002236     0.001626
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+&    12    0.743579     0.015696     0.015619
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+&    12    0.784709     0.017590     0.017684
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+&    12    0.884440     0.022598     0.022918
+&    12    0.895085     0.023167     0.023491
+&    12    0.905859     0.023750     0.024073
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+&    12    0.927796     0.024958     0.025270
+&    12    0.938963     0.025584     0.025885
+&    12    0.950264     0.026225     0.026513
+&    12    0.961701     0.026881     0.027152
+&    12    0.973276     0.027553     0.027806
+&    12    0.984991     0.028242     0.028474
+&    12    0.996846     0.028947     0.029157
+&    12    1.008844     0.029669     0.029857
+&    12    1.020987     0.030409     0.030574
+&    12    1.033275     0.031167     0.031309
+&    12    1.045712     0.031943     0.032063
+&    12    1.058298     0.032738     0.032837
+&    12    1.071035     0.033552     0.033632
+&    12    1.083926     0.034387     0.034449
+&    12    1.096973     0.035241     0.035289
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+!J     2    1.368740     0.000000
+!J     2    1.376953     0.000000
+!J     2    1.385215     0.000000
+!J     2    1.393526     0.000000
+!J     2    1.401887     0.000000
+!J     2    1.410298     0.000000
+!J     2    1.418760     0.000000
+!J     2    1.427273     0.000000
+!J     2    1.435836     0.000000
+!J     2    1.444451     0.000000
+!J     2    1.453118     0.000000
+!J     2    1.461837     0.000000
+!J     2    1.470608     0.000000
+!J     2    1.479431     0.000000
+!J     2    1.488308     0.000000
+!J     2    1.497238     0.000000
+!J     2    1.506221     0.000000
+!J     2    1.515259     0.000000
+!J     2    1.524350     0.000000
+!J     2    1.533496     0.000000
+!J     2    1.542697     0.000000
+!J     2    1.551953     0.000000
+!J     2    1.561265     0.000000
+!J     2    1.570633     0.000000
+!J     2    1.580056     0.000000
+
+convergence profiles, (ll=0,lmax)
+ lmax           2
+!C     0   12.172858     0.010000
+!C     0   17.755285     0.003162
+!C     0   21.670836     0.001000
+!C     0   24.936453     0.000316
+!C     0   27.753432     0.000100
+!C     0   30.047102     0.000032
+!C     0   32.408732     0.000010
+!C     1   23.772439     0.010000
+!C     1   27.415447     0.003162
+!C     1   30.690862     0.001000
+!C     1   33.447102     0.000316
+!C     1   36.146160     0.000100
+!C     1   38.169194     0.000032
+!C     1   40.333926     0.000010
+!C     2    0.234678     0.010000
+!C     2    0.365750     0.003162
+!C     2    0.556915     0.001000
+!C     2    1.049557     0.000316
+!C     2    2.291279     0.000100
+!C     2    4.613442     0.000032
+!C     2    7.898239     0.000010
+
+log derivativve data for plotting, l= 0
+atan(r * ((d psi(r)/dr)/psi(r))), r=  1.37
+l, energy, all-electron, pseudopotential
+
+!      0   12.000000   -1.601062   -1.611618
+!      0   11.980000   -1.600384   -1.610826
+!      0   11.960000   -1.599706   -1.610035
+!      0   11.940000   -1.599029   -1.609247
+!      0   11.920000   -1.598352   -1.608461
+!      0   11.900000   -1.597676   -1.607676
+!      0   11.880000   -1.597000   -1.606894
+!      0   11.860000   -1.596325   -1.606114
+!      0   11.840000   -1.595650   -1.605335
+!      0   11.820000   -1.594975   -1.604559
+!      0   11.800000   -1.594301   -1.603784
+!      0   11.780000   -1.593628   -1.603011
+!      0   11.760000   -1.592954   -1.602239
+!      0   11.740000   -1.592281   -1.601469
+!      0   11.720000   -1.591608   -1.600701
+!      0   11.700000   -1.590936   -1.599934
+!      0   11.680000   -1.590263   -1.599168
+!      0   11.660000   -1.589591   -1.598404
+!      0   11.640000   -1.588919   -1.597642
+!      0   11.620000   -1.588247   -1.596880
+!      0   11.600000   -1.587575   -1.596120
+!      0   11.580000   -1.586903   -1.595361
+!      0   11.560000   -1.586231   -1.594603
+!      0   11.540000   -1.585559   -1.593847
+!      0   11.520000   -1.584887   -1.593091
+!      0   11.500000   -1.584215   -1.592336
+!      0   11.480000   -1.583543   -1.591583
+!      0   11.460000   -1.582870   -1.590830
+!      0   11.440000   -1.582198   -1.590078
+!      0   11.420000   -1.581525   -1.589327
+!      0   11.400000   -1.580852   -1.588577
+!      0   11.380000   -1.580179   -1.587827
+!      0   11.360000   -1.579506   -1.587078
+!      0   11.340000   -1.578832   -1.586330
+!      0   11.320000   -1.578158   -1.585582
+!      0   11.300000   -1.577484   -1.584835
+!      0   11.280000   -1.576809   -1.584089
+!      0   11.260000   -1.576134   -1.583343
+!      0   11.240000   -1.575458   -1.582597
+!      0   11.220000   -1.574782   -1.581852
+!      0   11.200000   -1.574105   -1.581107
+!      0   11.180000   -1.573428   -1.580363
+!      0   11.160000   -1.572750   -1.579618
+!      0   11.140000   -1.572072   -1.578874
+!      0   11.120000   -1.571393   -1.578130
+!      0   11.100000   -1.570713   -1.577387
+!      0   11.080000   -1.570033   -1.576643
+!      0   11.060000   -1.569351   -1.575899
+!      0   11.040000   -1.568670   -1.575156
+!      0   11.020000   -1.567987   -1.574412
+!      0   11.000000   -1.567303   -1.573668
+!      0   10.980000   -1.566619   -1.572925
+!      0   10.960000   -1.565934   -1.572181
+!      0   10.940000   -1.565248   -1.571436
+!      0   10.920000   -1.564561   -1.570692
+!      0   10.900000   -1.563873   -1.569947
+!      0   10.880000   -1.563184   -1.569202
+!      0   10.860000   -1.562494   -1.568457
+!      0   10.840000   -1.561803   -1.567711
+!      0   10.820000   -1.561111   -1.566965
+!      0   10.800000   -1.560418   -1.566219
+!      0   10.780000   -1.559723   -1.565472
+!      0   10.760000   -1.559028   -1.564724
+!      0   10.740000   -1.558331   -1.563976
+!      0   10.720000   -1.557633   -1.563227
+!      0   10.700000   -1.556934   -1.562477
+!      0   10.680000   -1.556233   -1.561727
+!      0   10.660000   -1.555531   -1.560976
+!      0   10.640000   -1.554828   -1.560224
+!      0   10.620000   -1.554123   -1.559471
+!      0   10.600000   -1.553417   -1.558718
+!      0   10.580000   -1.552710   -1.557963
+!      0   10.560000   -1.552000   -1.557208
+!      0   10.540000   -1.551290   -1.556451
+!      0   10.520000   -1.550578   -1.555694
+!      0   10.500000   -1.549864   -1.554935
+!      0   10.480000   -1.549148   -1.554176
+!      0   10.460000   -1.548431   -1.553415
+!      0   10.440000   -1.547713   -1.552653
+!      0   10.420000   -1.546992   -1.551890
+!      0   10.400000   -1.546270   -1.551125
+!      0   10.380000   -1.545546   -1.550359
+!      0   10.360000   -1.544820   -1.549592
+!      0   10.340000   -1.544092   -1.548823
+!      0   10.320000   -1.543362   -1.548053
+!      0   10.300000   -1.542631   -1.547282
+!      0   10.280000   -1.541897   -1.546509
+!      0   10.260000   -1.541161   -1.545734
+!      0   10.240000   -1.540423   -1.544958
+!      0   10.220000   -1.539684   -1.544180
+!      0   10.200000   -1.538942   -1.543400
+!      0   10.180000   -1.538198   -1.542619
+!      0   10.160000   -1.537451   -1.541835
+!      0   10.140000   -1.536703   -1.541050
+!      0   10.120000   -1.535952   -1.540263
+!      0   10.100000   -1.535199   -1.539475
+!      0   10.080000   -1.534443   -1.538684
+!      0   10.060000   -1.533685   -1.537891
+!      0   10.040000   -1.532925   -1.537096
+!      0   10.020000   -1.532162   -1.536299
+!      0   10.000000   -1.531397   -1.535500
+!      0    9.980000   -1.530629   -1.534699
+!      0    9.960000   -1.529858   -1.533895
+!      0    9.940000   -1.529085   -1.533089
+!      0    9.920000   -1.528309   -1.532281
+!      0    9.900000   -1.527530   -1.531470
+!      0    9.880000   -1.526749   -1.530657
+!      0    9.860000   -1.525965   -1.529842
+!      0    9.840000   -1.525178   -1.529024
+!      0    9.820000   -1.524388   -1.528204
+!      0    9.800000   -1.523595   -1.527380
+!      0    9.780000   -1.522799   -1.526554
+!      0    9.760000   -1.522000   -1.525726
+!      0    9.740000   -1.521198   -1.524895
+!      0    9.720000   -1.520392   -1.524060
+!      0    9.700000   -1.519584   -1.523223
+!      0    9.680000   -1.518772   -1.522383
+!      0    9.660000   -1.517957   -1.521540
+!      0    9.640000   -1.517139   -1.520694
+!      0    9.620000   -1.516317   -1.519845
+!      0    9.600000   -1.515492   -1.518993
+!      0    9.580000   -1.514664   -1.518138
+!      0    9.560000   -1.513832   -1.517279
+!      0    9.540000   -1.512996   -1.516417
+!      0    9.520000   -1.512157   -1.515552
+!      0    9.500000   -1.511314   -1.514683
+!      0    9.480000   -1.510467   -1.513811
+!      0    9.460000   -1.509616   -1.512935
+!      0    9.440000   -1.508762   -1.512056
+!      0    9.420000   -1.507904   -1.511173
+!      0    9.400000   -1.507041   -1.510286
+!      0    9.380000   -1.506175   -1.509396
+!      0    9.360000   -1.505304   -1.508502
+!      0    9.340000   -1.504430   -1.507604
+!      0    9.320000   -1.503551   -1.506701
+!      0    9.300000   -1.502668   -1.505795
+!      0    9.280000   -1.501781   -1.504885
+!      0    9.260000   -1.500889   -1.503971
+!      0    9.240000   -1.499993   -1.503052
+!      0    9.220000   -1.499092   -1.502129
+!      0    9.200000   -1.498187   -1.501202
+!      0    9.180000   -1.497277   -1.500270
+!      0    9.160000   -1.496362   -1.499334
+!      0    9.140000   -1.495443   -1.498394
+!      0    9.120000   -1.494518   -1.497448
+!      0    9.100000   -1.493589   -1.496498
+!      0    9.080000   -1.492655   -1.495544
+!      0    9.060000   -1.491716   -1.494584
+!      0    9.040000   -1.490771   -1.493619
+!      0    9.020000   -1.489822   -1.492650
+!      0    9.000000   -1.488867   -1.491675
+!      0    8.980000   -1.487907   -1.490696
+!      0    8.960000   -1.486941   -1.489711
+!      0    8.940000   -1.485970   -1.488720
+!      0    8.920000   -1.484993   -1.487725
+!      0    8.900000   -1.484011   -1.486724
+!      0    8.880000   -1.483022   -1.485717
+!      0    8.860000   -1.482028   -1.484705
+!      0    8.840000   -1.481028   -1.483687
+!      0    8.820000   -1.480023   -1.482663
+!      0    8.800000   -1.479010   -1.481633
+!      0    8.780000   -1.477992   -1.480597
+!      0    8.760000   -1.476968   -1.479555
+!      0    8.740000   -1.475937   -1.478507
+!      0    8.720000   -1.474900   -1.477453
+!      0    8.700000   -1.473856   -1.476392
+!      0    8.680000   -1.472805   -1.475325
+!      0    8.660000   -1.471748   -1.474252
+!      0    8.640000   -1.470684   -1.473171
+!      0    8.620000   -1.469613   -1.472084
+!      0    8.600000   -1.468535   -1.470990
+!      0    8.580000   -1.467450   -1.469889
+!      0    8.560000   -1.466358   -1.468781
+!      0    8.540000   -1.465258   -1.467666
+!      0    8.520000   -1.464151   -1.466544
+!      0    8.500000   -1.463036   -1.465414
+!      0    8.480000   -1.461913   -1.464276
+!      0    8.460000   -1.460783   -1.463131
+!      0    8.440000   -1.459645   -1.461978
+!      0    8.420000   -1.458499   -1.460818
+!      0    8.400000   -1.457344   -1.459649
+!      0    8.380000   -1.456182   -1.458472
+!      0    8.360000   -1.455011   -1.457287
+!      0    8.340000   -1.453831   -1.456094
+!      0    8.320000   -1.452643   -1.454892
+!      0    8.300000   -1.451446   -1.453681
+!      0    8.280000   -1.450240   -1.452462
+!      0    8.260000   -1.449025   -1.451234
+!      0    8.240000   -1.447801   -1.449996
+!      0    8.220000   -1.446568   -1.448750
+!      0    8.200000   -1.445325   -1.447494
+!      0    8.180000   -1.444072   -1.446229
+!      0    8.160000   -1.442810   -1.444954
+!      0    8.140000   -1.441537   -1.443669
+!      0    8.120000   -1.440255   -1.442375
+!      0    8.100000   -1.438962   -1.441070
+!      0    8.080000   -1.437659   -1.439755
+!      0    8.060000   -1.436346   -1.438429
+!      0    8.040000   -1.435021   -1.437093
+!      0    8.020000   -1.433686   -1.435746
+!      0    8.000000   -1.432340   -1.434389
+!      0    7.980000   -1.430982   -1.433020
+!      0    7.960000   -1.429613   -1.431639
+!      0    7.940000   -1.428233   -1.430248
+!      0    7.920000   -1.426840   -1.428844
+!      0    7.900000   -1.425436   -1.427429
+!      0    7.880000   -1.424019   -1.426002
+!      0    7.860000   -1.422590   -1.424562
+!      0    7.840000   -1.421149   -1.423110
+!      0    7.820000   -1.419694   -1.421645
+!      0    7.800000   -1.418227   -1.420168
+!      0    7.780000   -1.416746   -1.418677
+!      0    7.760000   -1.415252   -1.417173
+!      0    7.740000   -1.413744   -1.415655
+!      0    7.720000   -1.412223   -1.414124
+!      0    7.700000   -1.410687   -1.412578
+!      0    7.680000   -1.409137   -1.411019
+!      0    7.660000   -1.407572   -1.409444
+!      0    7.640000   -1.405992   -1.407855
+!      0    7.620000   -1.404397   -1.406251
+!      0    7.600000   -1.402787   -1.404632
+!      0    7.580000   -1.401161   -1.402997
+!      0    7.560000   -1.399519   -1.401346
+!      0    7.540000   -1.397861   -1.399680
+!      0    7.520000   -1.396186   -1.397996
+!      0    7.500000   -1.394495   -1.396296
+!      0    7.480000   -1.392786   -1.394580
+!      0    7.460000   -1.391060   -1.392845
+!      0    7.440000   -1.389316   -1.391094
+!      0    7.420000   -1.387555   -1.389324
+!      0    7.400000   -1.385775   -1.387536
+!      0    7.380000   -1.383976   -1.385729
+!      0    7.360000   -1.382158   -1.383904
+!      0    7.340000   -1.380321   -1.382059
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+!      0    7.020000   -1.347966   -1.349598
+!      0    7.000000   -1.345736   -1.347362
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+!      0    6.940000   -1.338881   -1.340490
+!      0    6.920000   -1.336538   -1.338142
+!      0    6.900000   -1.334165   -1.335764
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+!      0    6.860000   -1.329329   -1.330918
+!      0    6.840000   -1.326863   -1.328447
+!      0    6.820000   -1.324366   -1.325945
+!      0    6.800000   -1.321835   -1.323409
+!      0    6.780000   -1.319270   -1.320840
+!      0    6.760000   -1.316671   -1.318237
+!      0    6.740000   -1.314037   -1.315598
+!      0    6.720000   -1.311367   -1.312924
+!      0    6.700000   -1.308660   -1.310213
+!      0    6.680000   -1.305916   -1.307465
+!      0    6.660000   -1.303133   -1.304678
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+!      0    6.620000   -1.297448   -1.298986
+!      0    6.600000   -1.294545   -1.296079
+!      0    6.580000   -1.291600   -1.293130
+!      0    6.560000   -1.288611   -1.290138
+!      0    6.540000   -1.285579   -1.287102
+!      0    6.520000   -1.282501   -1.284022
+!      0    6.500000   -1.279377   -1.280895
+!      0    6.480000   -1.276207   -1.277721
+!      0    6.460000   -1.272988   -1.274499
+!      0    6.440000   -1.269719   -1.271228
+!      0    6.420000   -1.266400   -1.267907
+!      0    6.400000   -1.263029   -1.264533
+!      0    6.380000   -1.259605   -1.261107
+!      0    6.360000   -1.256126   -1.257626
+!      0    6.340000   -1.252591   -1.254089
+!      0    6.320000   -1.249000   -1.250496
+!      0    6.300000   -1.245349   -1.246843
+!      0    6.280000   -1.241639   -1.243131
+!      0    6.260000   -1.237867   -1.239358
+!      0    6.240000   -1.234032   -1.235521
+!      0    6.220000   -1.230132   -1.231620
+!      0    6.200000   -1.226165   -1.227652
+!      0    6.180000   -1.222130   -1.223616
+!      0    6.160000   -1.218025   -1.219510
+!      0    6.140000   -1.213848   -1.215332
+!      0    6.120000   -1.209598   -1.211081
+!      0    6.100000   -1.205271   -1.206754
+!      0    6.080000   -1.200867   -1.202349
+!      0    6.060000   -1.196383   -1.197865
+!      0    6.040000   -1.191816   -1.193298
+!      0    6.020000   -1.187165   -1.188647
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+!      0   -8.220000    4.474124    4.474172
+!      0   -8.240000    4.474543    4.474591
+!      0   -8.260000    4.474959    4.475007
+!      0   -8.280000    4.475374    4.475422
+!      0   -8.300000    4.475787    4.475835
+!      0   -8.320000    4.476197    4.476245
+!      0   -8.340000    4.476606    4.476654
+!      0   -8.360000    4.477012    4.477060
+!      0   -8.380000    4.477417    4.477464
+!      0   -8.400000    4.477819    4.477867
+!      0   -8.420000    4.478220    4.478267
+!      0   -8.440000    4.478618    4.478666
+!      0   -8.460000    4.479015    4.479063
+!      0   -8.480000    4.479409    4.479457
+!      0   -8.500000    4.479802    4.479850
+!      0   -8.520000    4.480193    4.480241
+!      0   -8.540000    4.480582    4.480630
+!      0   -8.560000    4.480969    4.481017
+!      0   -8.580000    4.481354    4.481402
+!      0   -8.600000    4.481738    4.481786
+!      0   -8.620000    4.482119    4.482167
+!      0   -8.640000    4.482499    4.482547
+!      0   -8.660000    4.482877    4.482925
+!      0   -8.680000    4.483253    4.483301
+!      0   -8.700000    4.483628    4.483676
+!      0   -8.720000    4.484000    4.484048
+!      0   -8.740000    4.484371    4.484419
+!      0   -8.760000    4.484741    4.484789
+!      0   -8.780000    4.485108    4.485156
+!      0   -8.800000    4.485474    4.485522
+!      0   -8.820000    4.485838    4.485886
+!      0   -8.840000    4.486200    4.486248
+!      0   -8.860000    4.486561    4.486609
+!      0   -8.880000    4.486920    4.486968
+!      0   -8.900000    4.487278    4.487326
+!      0   -8.920000    4.487634    4.487682
+!      0   -8.940000    4.487988    4.488036
+!      0   -8.960000    4.488341    4.488389
+!      0   -8.980000    4.488692    4.488740
+!      0   -9.000000    4.489041    4.489089
+!      0   -9.020000    4.489389    4.489437
+!      0   -9.040000    4.489735    4.489784
+!      0   -9.060000    4.490080    4.490128
+!      0   -9.080000    4.490424    4.490472
+!      0   -9.100000    4.490765    4.490813
+!      0   -9.120000    4.491106    4.491154
+!      0   -9.140000    4.491444    4.491492
+!      0   -9.160000    4.491782    4.491830
+!      0   -9.180000    4.492118    4.492166
+!      0   -9.200000    4.492452    4.492500
+!      0   -9.220000    4.492785    4.492833
+!      0   -9.240000    4.493116    4.493164
+!      0   -9.260000    4.493446    4.493494
+!      0   -9.280000    4.493775    4.493823
+!      0   -9.300000    4.494102    4.494150
+!      0   -9.320000    4.494428    4.494476
+!      0   -9.340000    4.494752    4.494800
+!      0   -9.360000    4.495075    4.495123
+!      0   -9.380000    4.495397    4.495445
+!      0   -9.400000    4.495717    4.495765
+!      0   -9.420000    4.496036    4.496084
+!      0   -9.440000    4.496353    4.496401
+!      0   -9.460000    4.496669    4.496718
+!      0   -9.480000    4.496984    4.497032
+!      0   -9.500000    4.497298    4.497346
+!      0   -9.520000    4.497610    4.497658
+!      0   -9.540000    4.497921    4.497969
+!      0   -9.560000    4.498231    4.498279
+!      0   -9.580000    4.498539    4.498587
+!      0   -9.600000    4.498846    4.498894
+!      0   -9.620000    4.499152    4.499200
+!      0   -9.640000    4.499457    4.499505
+!      0   -9.660000    4.499760    4.499808
+!      0   -9.680000    4.500062    4.500110
+!      0   -9.700000    4.500363    4.500411
+!      0   -9.720000    4.500662    4.500711
+!      0   -9.740000    4.500961    4.501009
+!      0   -9.760000    4.501258    4.501306
+!      0   -9.780000    4.501554    4.501602
+!      0   -9.800000    4.501849    4.501897
+!      0   -9.820000    4.502142    4.502191
+!      0   -9.840000    4.502435    4.502483
+!      0   -9.860000    4.502726    4.502774
+!      0   -9.880000    4.503016    4.503064
+!      0   -9.900000    4.503305    4.503353
+!      0   -9.920000    4.503593    4.503641
+!      0   -9.940000    4.503880    4.503928
+!      0   -9.960000    4.504165    4.504213
+!      0   -9.980000    4.504450    4.504498
+!      0  -10.000000    4.504733    4.504781
+!      0  -10.020000    4.505015    4.505063
+!      0  -10.040000    4.505296    4.505345
+!      0  -10.060000    4.505576    4.505625
+!      0  -10.080000    4.505855    4.505903
+!      0  -10.100000    4.506133    4.506181
+!      0  -10.120000    4.506410    4.506458
+!      0  -10.140000    4.506686    4.506734
+!      0  -10.160000    4.506960    4.507008
+!      0  -10.180000    4.507234    4.507282
+!      0  -10.200000    4.507506    4.507555
+!      0  -10.220000    4.507778    4.507826
+!      0  -10.240000    4.508048    4.508097
+!      0  -10.260000    4.508318    4.508366
+!      0  -10.280000    4.508586    4.508634
+!      0  -10.300000    4.508854    4.508902
+!      0  -10.320000    4.509120    4.509168
+!      0  -10.340000    4.509385    4.509434
+!      0  -10.360000    4.509650    4.509698
+!      0  -10.380000    4.509913    4.509961
+!      0  -10.400000    4.510176    4.510224
+!      0  -10.420000    4.510437    4.510485
+!      0  -10.440000    4.510698    4.510746
+!      0  -10.460000    4.510957    4.511005
+!      0  -10.480000    4.511216    4.511264
+!      0  -10.500000    4.511473    4.511521
+!      0  -10.520000    4.511730    4.511778
+!      0  -10.540000    4.511986    4.512034
+!      0  -10.560000    4.512240    4.512289
+!      0  -10.580000    4.512494    4.512542
+!      0  -10.600000    4.512747    4.512795
+!      0  -10.620000    4.512999    4.513047
+!      0  -10.640000    4.513250    4.513298
+!      0  -10.660000    4.513501    4.513549
+!      0  -10.680000    4.513750    4.513798
+!      0  -10.700000    4.513998    4.514046
+!      0  -10.720000    4.514246    4.514294
+!      0  -10.740000    4.514492    4.514540
+!      0  -10.760000    4.514738    4.514786
+!      0  -10.780000    4.514983    4.515031
+!      0  -10.800000    4.515227    4.515275
+!      0  -10.820000    4.515470    4.515518
+!      0  -10.840000    4.515712    4.515760
+!      0  -10.860000    4.515953    4.516002
+!      0  -10.880000    4.516194    4.516242
+!      0  -10.900000    4.516434    4.516482
+!      0  -10.920000    4.516673    4.516721
+!      0  -10.940000    4.516911    4.516959
+!      0  -10.960000    4.517148    4.517196
+!      0  -10.980000    4.517384    4.517432
+!      0  -11.000000    4.517620    4.517668
+!      0  -11.020000    4.517854    4.517902
+!      0  -11.040000    4.518088    4.518136
+!      0  -11.060000    4.518321    4.518369
+!      0  -11.080000    4.518554    4.518602
+!      0  -11.100000    4.518785    4.518833
+!      0  -11.120000    4.519016    4.519064
+!      0  -11.140000    4.519246    4.519294
+!      0  -11.160000    4.519475    4.519523
+!      0  -11.180000    4.519703    4.519751
+!      0  -11.200000    4.519931    4.519979
+!      0  -11.220000    4.520157    4.520205
+!      0  -11.240000    4.520383    4.520431
+!      0  -11.260000    4.520609    4.520657
+!      0  -11.280000    4.520833    4.520881
+!      0  -11.300000    4.521057    4.521105
+!      0  -11.320000    4.521280    4.521328
+!      0  -11.340000    4.521502    4.521550
+!      0  -11.360000    4.521724    4.521772
+!      0  -11.380000    4.521944    4.521992
+!      0  -11.400000    4.522164    4.522212
+!      0  -11.420000    4.522384    4.522432
+!      0  -11.440000    4.522602    4.522650
+!      0  -11.460000    4.522820    4.522868
+!      0  -11.480000    4.523037    4.523085
+!      0  -11.500000    4.523254    4.523302
+!      0  -11.520000    4.523469    4.523517
+!      0  -11.540000    4.523684    4.523732
+!      0  -11.560000    4.523898    4.523946
+!      0  -11.580000    4.524112    4.524160
+!      0  -11.600000    4.524325    4.524373
+!      0  -11.620000    4.524537    4.524585
+!      0  -11.640000    4.524749    4.524797
+!      0  -11.660000    4.524959    4.525007
+!      0  -11.680000    4.525170    4.525218
+!      0  -11.700000    4.525379    4.525427
+!      0  -11.720000    4.525588    4.525636
+!      0  -11.740000    4.525796    4.525844
+!      0  -11.760000    4.526003    4.526051
+!      0  -11.780000    4.526210    4.526258
+!      0  -11.800000    4.526416    4.526464
+!      0  -11.820000    4.526622    4.526670
+!      0  -11.840000    4.526827    4.526874
+!      0  -11.860000    4.527031    4.527079
+!      0  -11.880000    4.527234    4.527282
+!      0  -11.900000    4.527437    4.527485
+!      0  -11.920000    4.527639    4.527687
+!      0  -11.940000    4.527841    4.527889
+!      0  -11.960000    4.528042    4.528090
+!      0  -11.980000    4.528242    4.528290
+
+log derivativve data for plotting, l= 1
+atan(r * ((d psi(r)/dr)/psi(r))), r=  1.47
+l, energy, all-electron, pseudopotential
+
+!      1   12.000000    1.066272    1.286771
+!      1   11.980000    1.076060    1.290090
+!      1   11.960000    1.085537    1.293351
+!      1   11.940000    1.094716    1.296557
+!      1   11.920000    1.103610    1.299708
+!      1   11.900000    1.112232    1.302807
+!      1   11.880000    1.120594    1.305855
+!      1   11.860000    1.128705    1.308853
+!      1   11.840000    1.136578    1.311802
+!      1   11.820000    1.144221    1.314704
+!      1   11.800000    1.151645    1.317560
+!      1   11.780000    1.158858    1.320371
+!      1   11.760000    1.165869    1.323139
+!      1   11.740000    1.172686    1.325864
+!      1   11.720000    1.179317    1.328548
+!      1   11.700000    1.185770    1.331191
+!      1   11.680000    1.192051    1.333795
+!      1   11.660000    1.198167    1.336361
+!      1   11.640000    1.204125    1.338889
+!      1   11.620000    1.209930    1.341381
+!      1   11.600000    1.215589    1.343837
+!      1   11.580000    1.221106    1.346259
+!      1   11.560000    1.226488    1.348647
+!      1   11.540000    1.231739    1.351002
+!      1   11.520000    1.236864    1.353324
+!      1   11.500000    1.241868    1.355615
+!      1   11.480000    1.246754    1.357876
+!      1   11.460000    1.251528    1.360106
+!      1   11.440000    1.256193    1.362307
+!      1   11.420000    1.260753    1.364480
+!      1   11.400000    1.265212    1.366625
+!      1   11.380000    1.269572    1.368742
+!      1   11.360000    1.273838    1.370833
+!      1   11.340000    1.278013    1.372898
+!      1   11.320000    1.282100    1.374937
+!      1   11.300000    1.286101    1.376951
+!      1   11.280000    1.290020    1.378942
+!      1   11.260000    1.293859    1.380908
+!      1   11.240000    1.297621    1.382851
+!      1   11.220000    1.301308    1.384772
+!      1   11.200000    1.304923    1.386670
+!      1   11.180000    1.308468    1.388547
+!      1   11.160000    1.311944    1.390402
+!      1   11.140000    1.315356    1.392237
+!      1   11.120000    1.318703    1.394051
+!      1   11.100000    1.321989    1.395846
+!      1   11.080000    1.325215    1.397621
+!      1   11.060000    1.328382    1.399377
+!      1   11.040000    1.331494    1.401114
+!      1   11.020000    1.334551    1.402834
+!      1   11.000000    1.337554    1.404535
+!      1   10.980000    1.340506    1.406219
+!      1   10.960000    1.343409    1.407886
+!      1   10.940000    1.346262    1.409536
+!      1   10.920000    1.349069    1.411170
+!      1   10.900000    1.351830    1.412787
+!      1   10.880000    1.354546    1.414390
+!      1   10.860000    1.357219    1.415976
+!      1   10.840000    1.359849    1.417548
+!      1   10.820000    1.362439    1.419105
+!      1   10.800000    1.364989    1.420647
+!      1   10.780000    1.367501    1.422175
+!      1   10.760000    1.369974    1.423690
+!      1   10.740000    1.372411    1.425191
+!      1   10.720000    1.374813    1.426678
+!      1   10.700000    1.377179    1.428153
+!      1   10.680000    1.379512    1.429615
+!      1   10.660000    1.381812    1.431064
+!      1   10.640000    1.384080    1.432501
+!      1   10.620000    1.386316    1.433926
+!      1   10.600000    1.388523    1.435340
+!      1   10.580000    1.390699    1.436742
+!      1   10.560000    1.392847    1.438132
+!      1   10.540000    1.394966    1.439512
+!      1   10.520000    1.397058    1.440880
+!      1   10.500000    1.399124    1.442238
+!      1   10.480000    1.401163    1.443586
+!      1   10.460000    1.403177    1.444923
+!      1   10.440000    1.405166    1.446251
+!      1   10.420000    1.407131    1.447568
+!      1   10.400000    1.409072    1.448876
+!      1   10.380000    1.410990    1.450175
+!      1   10.360000    1.412886    1.451465
+!      1   10.340000    1.414759    1.452745
+!      1   10.320000    1.416612    1.454017
+!      1   10.300000    1.418443    1.455279
+!      1   10.280000    1.420254    1.456534
+!      1   10.260000    1.422045    1.457780
+!      1   10.240000    1.423817    1.459018
+!      1   10.220000    1.425570    1.460248
+!      1   10.200000    1.427304    1.461470
+!      1   10.180000    1.429020    1.462684
+!      1   10.160000    1.430718    1.463891
+!      1   10.140000    1.432400    1.465091
+!      1   10.120000    1.434064    1.466283
+!      1   10.100000    1.435712    1.467468
+!      1   10.080000    1.437344    1.468647
+!      1   10.060000    1.438960    1.469818
+!      1   10.040000    1.440560    1.470983
+!      1   10.020000    1.442146    1.472141
+!      1   10.000000    1.443717    1.473293
+!      1    9.980000    1.445274    1.474439
+!      1    9.960000    1.446816    1.475579
+!      1    9.940000    1.448346    1.476713
+!      1    9.920000    1.449861    1.477841
+!      1    9.900000    1.451364    1.478963
+!      1    9.880000    1.452854    1.480079
+!      1    9.860000    1.454331    1.481190
+!      1    9.840000    1.455796    1.482296
+!      1    9.820000    1.457249    1.483397
+!      1    9.800000    1.458691    1.484492
+!      1    9.780000    1.460121    1.485582
+!      1    9.760000    1.461540    1.486668
+!      1    9.740000    1.462949    1.487749
+!      1    9.720000    1.464346    1.488825
+!      1    9.700000    1.465734    1.489896
+!      1    9.680000    1.467111    1.490963
+!      1    9.660000    1.468478    1.492026
+!      1    9.640000    1.469836    1.493084
+!      1    9.620000    1.471184    1.494138
+!      1    9.600000    1.472522    1.495188
+!      1    9.580000    1.473852    1.496234
+!      1    9.560000    1.475173    1.497277
+!      1    9.540000    1.476486    1.498315
+!      1    9.520000    1.477790    1.499350
+!      1    9.500000    1.479085    1.500381
+!      1    9.480000    1.480373    1.501409
+!      1    9.460000    1.481653    1.502434
+!      1    9.440000    1.482925    1.503455
+!      1    9.420000    1.484190    1.504473
+!      1    9.400000    1.485447    1.505487
+!      1    9.380000    1.486698    1.506499
+!      1    9.360000    1.487941    1.507508
+!      1    9.340000    1.489178    1.508514
+!      1    9.320000    1.490408    1.509517
+!      1    9.300000    1.491631    1.510517
+!      1    9.280000    1.492848    1.511515
+!      1    9.260000    1.494060    1.512511
+!      1    9.240000    1.495265    1.513504
+!      1    9.220000    1.496464    1.514494
+!      1    9.200000    1.497658    1.515482
+!      1    9.180000    1.498846    1.516468
+!      1    9.160000    1.500029    1.517452
+!      1    9.140000    1.501206    1.518434
+!      1    9.120000    1.502378    1.519414
+!      1    9.100000    1.503546    1.520392
+!      1    9.080000    1.504709    1.521368
+!      1    9.060000    1.505867    1.522343
+!      1    9.040000    1.507020    1.523315
+!      1    9.020000    1.508169    1.524287
+!      1    9.000000    1.509314    1.525256
+!      1    8.980000    1.510454    1.526224
+!      1    8.960000    1.511590    1.527191
+!      1    8.940000    1.512723    1.528157
+!      1    8.920000    1.513852    1.529121
+!      1    8.900000    1.514977    1.530084
+!      1    8.880000    1.516098    1.531046
+!      1    8.860000    1.517216    1.532007
+!      1    8.840000    1.518331    1.532968
+!      1    8.820000    1.519443    1.533927
+!      1    8.800000    1.520551    1.534885
+!      1    8.780000    1.521656    1.535843
+!      1    8.760000    1.522759    1.536800
+!      1    8.740000    1.523859    1.537757
+!      1    8.720000    1.524956    1.538713
+!      1    8.700000    1.526050    1.539668
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+!      1   -5.740000    7.594885    7.594933
+!      1   -5.760000    7.595491    7.595539
+!      1   -5.780000    7.596093    7.596141
+!      1   -5.800000    7.596692    7.596739
+!      1   -5.820000    7.597286    7.597334
+!      1   -5.840000    7.597877    7.597924
+!      1   -5.860000    7.598463    7.598511
+!      1   -5.880000    7.599046    7.599093
+!      1   -5.900000    7.599625    7.599672
+!      1   -5.920000    7.600200    7.600247
+!      1   -5.940000    7.600772    7.600819
+!      1   -5.960000    7.601340    7.601387
+!      1   -5.980000    7.601904    7.601951
+!      1   -6.000000    7.602465    7.602512
+!      1   -6.020000    7.603023    7.603069
+!      1   -6.040000    7.603576    7.603623
+!      1   -6.060000    7.604127    7.604173
+!      1   -6.080000    7.604673    7.604720
+!      1   -6.100000    7.605217    7.605263
+!      1   -6.120000    7.605757    7.605803
+!      1   -6.140000    7.606294    7.606340
+!      1   -6.160000    7.606827    7.606873
+!      1   -6.180000    7.607357    7.607403
+!      1   -6.200000    7.607884    7.607930
+!      1   -6.220000    7.608408    7.608454
+!      1   -6.240000    7.608929    7.608974
+!      1   -6.260000    7.609446    7.609492
+!      1   -6.280000    7.609961    7.610006
+!      1   -6.300000    7.610472    7.610517
+!      1   -6.320000    7.610980    7.611025
+!      1   -6.340000    7.611485    7.611530
+!      1   -6.360000    7.611988    7.612033
+!      1   -6.380000    7.612487    7.612532
+!      1   -6.400000    7.612983    7.613028
+!      1   -6.420000    7.613477    7.613522
+!      1   -6.440000    7.613968    7.614012
+!      1   -6.460000    7.614455    7.614500
+!      1   -6.480000    7.614940    7.614985
+!      1   -6.500000    7.615422    7.615467
+!      1   -6.520000    7.615902    7.615946
+!      1   -6.540000    7.616379    7.616423
+!      1   -6.560000    7.616853    7.616897
+!      1   -6.580000    7.617324    7.617368
+!      1   -6.600000    7.617792    7.617836
+!      1   -6.620000    7.618258    7.618302
+!      1   -6.640000    7.618722    7.618765
+!      1   -6.660000    7.619182    7.619226
+!      1   -6.680000    7.619641    7.619684
+!      1   -6.700000    7.620096    7.620140
+!      1   -6.720000    7.620550    7.620593
+!      1   -6.740000    7.621000    7.621043
+!      1   -6.760000    7.621448    7.621491
+!      1   -6.780000    7.621894    7.621937
+!      1   -6.800000    7.622337    7.622380
+!      1   -6.820000    7.622778    7.622821
+!      1   -6.840000    7.623217    7.623260
+!      1   -6.860000    7.623653    7.623696
+!      1   -6.880000    7.624087    7.624129
+!      1   -6.900000    7.624518    7.624561
+!      1   -6.920000    7.624947    7.624990
+!      1   -6.940000    7.625374    7.625417
+!      1   -6.960000    7.625799    7.625841
+!      1   -6.980000    7.626221    7.626263
+!      1   -7.000000    7.626641    7.626683
+!      1   -7.020000    7.627059    7.627101
+!      1   -7.040000    7.627475    7.627517
+!      1   -7.060000    7.627889    7.627931
+!      1   -7.080000    7.628300    7.628342
+!      1   -7.100000    7.628709    7.628751
+!      1   -7.120000    7.629117    7.629158
+!      1   -7.140000    7.629522    7.629563
+!      1   -7.160000    7.629925    7.629966
+!      1   -7.180000    7.630326    7.630367
+!      1   -7.200000    7.630725    7.630766
+!      1   -7.220000    7.631122    7.631163
+!      1   -7.240000    7.631516    7.631558
+!      1   -7.260000    7.631909    7.631950
+!      1   -7.280000    7.632300    7.632341
+!      1   -7.300000    7.632689    7.632730
+!      1   -7.320000    7.633076    7.633117
+!      1   -7.340000    7.633461    7.633502
+!      1   -7.360000    7.633845    7.633885
+!      1   -7.380000    7.634226    7.634267
+!      1   -7.400000    7.634605    7.634646
+!      1   -7.420000    7.634983    7.635023
+!      1   -7.440000    7.635359    7.635399
+!      1   -7.460000    7.635732    7.635773
+!      1   -7.480000    7.636104    7.636145
+!      1   -7.500000    7.636475    7.636515
+!      1   -7.520000    7.636843    7.636883
+!      1   -7.540000    7.637210    7.637250
+!      1   -7.560000    7.637575    7.637615
+!      1   -7.580000    7.637938    7.637978
+!      1   -7.600000    7.638299    7.638339
+!      1   -7.620000    7.638659    7.638699
+!      1   -7.640000    7.639017    7.639057
+!      1   -7.660000    7.639373    7.639413
+!      1   -7.680000    7.639728    7.639768
+!      1   -7.700000    7.640081    7.640120
+!      1   -7.720000    7.640432    7.640472
+!      1   -7.740000    7.640782    7.640821
+!      1   -7.760000    7.641130    7.641169
+!      1   -7.780000    7.641476    7.641515
+!      1   -7.800000    7.641821    7.641860
+!      1   -7.820000    7.642164    7.642203
+!      1   -7.840000    7.642506    7.642545
+!      1   -7.860000    7.642846    7.642885
+!      1   -7.880000    7.643184    7.643223
+!      1   -7.900000    7.643521    7.643560
+!      1   -7.920000    7.643857    7.643895
+!      1   -7.940000    7.644190    7.644229
+!      1   -7.960000    7.644523    7.644562
+!      1   -7.980000    7.644854    7.644892
+!      1   -8.000000    7.645183    7.645222
+!      1   -8.020000    7.645511    7.645550
+!      1   -8.040000    7.645837    7.645876
+!      1   -8.060000    7.646162    7.646201
+!      1   -8.080000    7.646486    7.646524
+!      1   -8.100000    7.646808    7.646846
+!      1   -8.120000    7.647129    7.647167
+!      1   -8.140000    7.647448    7.647486
+!      1   -8.160000    7.647766    7.647804
+!      1   -8.180000    7.648082    7.648120
+!      1   -8.200000    7.648397    7.648435
+!      1   -8.220000    7.648711    7.648749
+!      1   -8.240000    7.649023    7.649061
+!      1   -8.260000    7.649334    7.649372
+!      1   -8.280000    7.649644    7.649682
+!      1   -8.300000    7.649952    7.649990
+!      1   -8.320000    7.650259    7.650297
+!      1   -8.340000    7.650565    7.650602
+!      1   -8.360000    7.650869    7.650907
+!      1   -8.380000    7.651172    7.651210
+!      1   -8.400000    7.651474    7.651511
+!      1   -8.420000    7.651774    7.651812
+!      1   -8.440000    7.652074    7.652111
+!      1   -8.460000    7.652372    7.652409
+!      1   -8.480000    7.652668    7.652705
+!      1   -8.500000    7.652964    7.653001
+!      1   -8.520000    7.653258    7.653295
+!      1   -8.540000    7.653551    7.653588
+!      1   -8.560000    7.653843    7.653880
+!      1   -8.580000    7.654133    7.654170
+!      1   -8.600000    7.654422    7.654459
+!      1   -8.620000    7.654711    7.654747
+!      1   -8.640000    7.654998    7.655034
+!      1   -8.660000    7.655283    7.655320
+!      1   -8.680000    7.655568    7.655605
+!      1   -8.700000    7.655851    7.655888
+!      1   -8.720000    7.656134    7.656170
+!      1   -8.740000    7.656415    7.656451
+!      1   -8.760000    7.656695    7.656731
+!      1   -8.780000    7.656974    7.657010
+!      1   -8.800000    7.657251    7.657288
+!      1   -8.820000    7.657528    7.657564
+!      1   -8.840000    7.657803    7.657840
+!      1   -8.860000    7.658078    7.658114
+!      1   -8.880000    7.658351    7.658387
+!      1   -8.900000    7.658623    7.658660
+!      1   -8.920000    7.658895    7.658931
+!      1   -8.940000    7.659165    7.659201
+!      1   -8.960000    7.659434    7.659470
+!      1   -8.980000    7.659702    7.659737
+!      1   -9.000000    7.659968    7.660004
+!      1   -9.020000    7.660234    7.660270
+!      1   -9.040000    7.660499    7.660535
+!      1   -9.060000    7.660763    7.660799
+!      1   -9.080000    7.661026    7.661061
+!      1   -9.100000    7.661287    7.661323
+!      1   -9.120000    7.661548    7.661584
+!      1   -9.140000    7.661808    7.661843
+!      1   -9.160000    7.662066    7.662102
+!      1   -9.180000    7.662324    7.662360
+!      1   -9.200000    7.662581    7.662616
+!      1   -9.220000    7.662836    7.662872
+!      1   -9.240000    7.663091    7.663127
+!      1   -9.260000    7.663345    7.663380
+!      1   -9.280000    7.663598    7.663633
+!      1   -9.300000    7.663850    7.663885
+!      1   -9.320000    7.664101    7.664136
+!      1   -9.340000    7.664351    7.664386
+!      1   -9.360000    7.664600    7.664635
+!      1   -9.380000    7.664848    7.664883
+!      1   -9.400000    7.665095    7.665130
+!      1   -9.420000    7.665341    7.665376
+!      1   -9.440000    7.665586    7.665621
+!      1   -9.460000    7.665831    7.665866
+!      1   -9.480000    7.666074    7.666109
+!      1   -9.500000    7.666317    7.666352
+!      1   -9.520000    7.666559    7.666593
+!      1   -9.540000    7.666799    7.666834
+!      1   -9.560000    7.667039    7.667074
+!      1   -9.580000    7.667278    7.667313
+!      1   -9.600000    7.667517    7.667551
+!      1   -9.620000    7.667754    7.667788
+!      1   -9.640000    7.667990    7.668025
+!      1   -9.660000    7.668226    7.668260
+!      1   -9.680000    7.668461    7.668495
+!      1   -9.700000    7.668694    7.668729
+!      1   -9.720000    7.668928    7.668962
+!      1   -9.740000    7.669160    7.669194
+!      1   -9.760000    7.669391    7.669425
+!      1   -9.780000    7.669622    7.669656
+!      1   -9.800000    7.669851    7.669886
+!      1   -9.820000    7.670080    7.670114
+!      1   -9.840000    7.670308    7.670342
+!      1   -9.860000    7.670536    7.670570
+!      1   -9.880000    7.670762    7.670796
+!      1   -9.900000    7.670988    7.671022
+!      1   -9.920000    7.671213    7.671247
+!      1   -9.940000    7.671437    7.671471
+!      1   -9.960000    7.671660    7.671694
+!      1   -9.980000    7.671883    7.671916
+!      1  -10.000000    7.672104    7.672138
+!      1  -10.020000    7.672325    7.672359
+!      1  -10.040000    7.672545    7.672579
+!      1  -10.060000    7.672765    7.672799
+!      1  -10.080000    7.672984    7.673017
+!      1  -10.100000    7.673202    7.673235
+!      1  -10.120000    7.673419    7.673452
+!      1  -10.140000    7.673635    7.673669
+!      1  -10.160000    7.673851    7.673884
+!      1  -10.180000    7.674066    7.674099
+!      1  -10.200000    7.674280    7.674314
+!      1  -10.220000    7.674493    7.674527
+!      1  -10.240000    7.674706    7.674740
+!      1  -10.260000    7.674918    7.674952
+!      1  -10.280000    7.675130    7.675163
+!      1  -10.300000    7.675340    7.675374
+!      1  -10.320000    7.675550    7.675583
+!      1  -10.340000    7.675759    7.675793
+!      1  -10.360000    7.675968    7.676001
+!      1  -10.380000    7.676176    7.676209
+!      1  -10.400000    7.676383    7.676416
+!      1  -10.420000    7.676589    7.676622
+!      1  -10.440000    7.676795    7.676828
+!      1  -10.460000    7.677000    7.677033
+!      1  -10.480000    7.677204    7.677237
+!      1  -10.500000    7.677408    7.677441
+!      1  -10.520000    7.677611    7.677644
+!      1  -10.540000    7.677813    7.677846
+!      1  -10.560000    7.678015    7.678048
+!      1  -10.580000    7.678216    7.678249
+!      1  -10.600000    7.678416    7.678449
+!      1  -10.620000    7.678616    7.678649
+!      1  -10.640000    7.678815    7.678848
+!      1  -10.660000    7.679013    7.679046
+!      1  -10.680000    7.679211    7.679244
+!      1  -10.700000    7.679408    7.679441
+!      1  -10.720000    7.679605    7.679638
+!      1  -10.740000    7.679801    7.679833
+!      1  -10.760000    7.679996    7.680029
+!      1  -10.780000    7.680190    7.680223
+!      1  -10.800000    7.680384    7.680417
+!      1  -10.820000    7.680578    7.680610
+!      1  -10.840000    7.680771    7.680803
+!      1  -10.860000    7.680963    7.680995
+!      1  -10.880000    7.681154    7.681187
+!      1  -10.900000    7.681345    7.681378
+!      1  -10.920000    7.681535    7.681568
+!      1  -10.940000    7.681725    7.681758
+!      1  -10.960000    7.681914    7.681947
+!      1  -10.980000    7.682103    7.682135
+!      1  -11.000000    7.682291    7.682323
+!      1  -11.020000    7.682478    7.682510
+!      1  -11.040000    7.682665    7.682697
+!      1  -11.060000    7.682851    7.682883
+!      1  -11.080000    7.683036    7.683069
+!      1  -11.100000    7.683221    7.683254
+!      1  -11.120000    7.683406    7.683438
+!      1  -11.140000    7.683590    7.683622
+!      1  -11.160000    7.683773    7.683805
+!      1  -11.180000    7.683956    7.683988
+!      1  -11.200000    7.684138    7.684170
+!      1  -11.220000    7.684320    7.684352
+!      1  -11.240000    7.684501    7.684533
+!      1  -11.260000    7.684681    7.684713
+!      1  -11.280000    7.684861    7.684893
+!      1  -11.300000    7.685040    7.685072
+!      1  -11.320000    7.685219    7.685251
+!      1  -11.340000    7.685398    7.685429
+!      1  -11.360000    7.685575    7.685607
+!      1  -11.380000    7.685753    7.685784
+!      1  -11.400000    7.685929    7.685961
+!      1  -11.420000    7.686105    7.686137
+!      1  -11.440000    7.686281    7.686313
+!      1  -11.460000    7.686456    7.686488
+!      1  -11.480000    7.686631    7.686663
+!      1  -11.500000    7.686805    7.686837
+!      1  -11.520000    7.686978    7.687010
+!      1  -11.540000    7.687151    7.687183
+!      1  -11.560000    7.687324    7.687356
+!      1  -11.580000    7.687496    7.687528
+!      1  -11.600000    7.687667    7.687699
+!      1  -11.620000    7.687838    7.687870
+!      1  -11.640000    7.688009    7.688040
+!      1  -11.660000    7.688179    7.688210
+!      1  -11.680000    7.688348    7.688380
+!      1  -11.700000    7.688517    7.688549
+!      1  -11.720000    7.688686    7.688717
+!      1  -11.740000    7.688854    7.688885
+!      1  -11.760000    7.689021    7.689053
+!      1  -11.780000    7.689188    7.689220
+!      1  -11.800000    7.689355    7.689386
+!      1  -11.820000    7.689521    7.689552
+!      1  -11.840000    7.689686    7.689718
+!      1  -11.860000    7.689851    7.689883
+!      1  -11.880000    7.690016    7.690048
+!      1  -11.900000    7.690180    7.690212
+!      1  -11.920000    7.690344    7.690375
+!      1  -11.940000    7.690507    7.690538
+!      1  -11.960000    7.690670    7.690701
+!      1  -11.980000    7.690832    7.690863
+
+log derivativve data for plotting, l= 2
+atan(r * ((d psi(r)/dr)/psi(r))), r=  1.27
+l, energy, all-electron, pseudopotential
+
+!      2   12.000000   -3.034934   -2.152793
+!      2   11.980000   -3.006786   -2.144631
+!      2   11.960000   -2.978828   -2.136648
+!      2   11.940000   -2.951100   -2.128839
+!      2   11.920000   -2.923640   -2.121199
+!      2   11.900000   -2.896484   -2.113723
+!      2   11.880000   -2.869664   -2.106407
+!      2   11.860000   -2.843211   -2.099245
+!      2   11.840000   -2.817153   -2.092234
+!      2   11.820000   -2.791513   -2.085368
+!      2   11.800000   -2.766314   -2.078645
+!      2   11.780000   -2.741574   -2.072059
+!      2   11.760000   -2.717309   -2.065607
+!      2   11.740000   -2.693533   -2.059285
+!      2   11.720000   -2.670254   -2.053089
+!      2   11.700000   -2.647482   -2.047017
+!      2   11.680000   -2.625221   -2.041063
+!      2   11.660000   -2.603475   -2.035225
+!      2   11.640000   -2.582244   -2.029500
+!      2   11.620000   -2.561529   -2.023885
+!      2   11.600000   -2.541326   -2.018376
+!      2   11.580000   -2.521632   -2.012970
+!      2   11.560000   -2.502441   -2.007665
+!      2   11.540000   -2.483747   -2.002459
+!      2   11.520000   -2.465543   -1.997347
+!      2   11.500000   -2.447820   -1.992329
+!      2   11.480000   -2.430569   -1.987400
+!      2   11.460000   -2.413781   -1.982560
+!      2   11.440000   -2.397444   -1.977805
+!      2   11.420000   -2.381550   -1.973133
+!      2   11.400000   -2.366087   -1.968542
+!      2   11.380000   -2.351044   -1.964030
+!      2   11.360000   -2.336409   -1.959594
+!      2   11.340000   -2.322173   -1.955234
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+!      2   -9.380000    1.363153    1.363266
+!      2   -9.400000    1.363387    1.363500
+!      2   -9.420000    1.363620    1.363733
+!      2   -9.440000    1.363853    1.363966
+!      2   -9.460000    1.364085    1.364197
+!      2   -9.480000    1.364316    1.364428
+!      2   -9.500000    1.364547    1.364659
+!      2   -9.520000    1.364777    1.364888
+!      2   -9.540000    1.365006    1.365117
+!      2   -9.560000    1.365234    1.365345
+!      2   -9.580000    1.365462    1.365573
+!      2   -9.600000    1.365689    1.365799
+!      2   -9.620000    1.365915    1.366026
+!      2   -9.640000    1.366141    1.366251
+!      2   -9.660000    1.366366    1.366476
+!      2   -9.680000    1.366590    1.366700
+!      2   -9.700000    1.366814    1.366923
+!      2   -9.720000    1.367037    1.367145
+!      2   -9.740000    1.367259    1.367367
+!      2   -9.760000    1.367480    1.367589
+!      2   -9.780000    1.367701    1.367809
+!      2   -9.800000    1.367921    1.368029
+!      2   -9.820000    1.368141    1.368248
+!      2   -9.840000    1.368360    1.368467
+!      2   -9.860000    1.368578    1.368685
+!      2   -9.880000    1.368795    1.368902
+!      2   -9.900000    1.369012    1.369119
+!      2   -9.920000    1.369228    1.369335
+!      2   -9.940000    1.369444    1.369550
+!      2   -9.960000    1.369659    1.369765
+!      2   -9.980000    1.369873    1.369979
+!      2  -10.000000    1.370087    1.370192
+!      2  -10.020000    1.370300    1.370405
+!      2  -10.040000    1.370512    1.370617
+!      2  -10.060000    1.370724    1.370829
+!      2  -10.080000    1.370935    1.371040
+!      2  -10.100000    1.371146    1.371250
+!      2  -10.120000    1.371356    1.371460
+!      2  -10.140000    1.371565    1.371669
+!      2  -10.160000    1.371774    1.371877
+!      2  -10.180000    1.371982    1.372085
+!      2  -10.200000    1.372189    1.372292
+!      2  -10.220000    1.372396    1.372499
+!      2  -10.240000    1.372602    1.372705
+!      2  -10.260000    1.372808    1.372910
+!      2  -10.280000    1.373013    1.373115
+!      2  -10.300000    1.373217    1.373319
+!      2  -10.320000    1.373421    1.373523
+!      2  -10.340000    1.373624    1.373726
+!      2  -10.360000    1.373827    1.373928
+!      2  -10.380000    1.374029    1.374130
+!      2  -10.400000    1.374231    1.374332
+!      2  -10.420000    1.374432    1.374532
+!      2  -10.440000    1.374632    1.374733
+!      2  -10.460000    1.374832    1.374932
+!      2  -10.480000    1.375031    1.375131
+!      2  -10.500000    1.375230    1.375330
+!      2  -10.520000    1.375428    1.375527
+!      2  -10.540000    1.375625    1.375725
+!      2  -10.560000    1.375822    1.375922
+!      2  -10.580000    1.376019    1.376118
+!      2  -10.600000    1.376215    1.376313
+!      2  -10.620000    1.376410    1.376508
+!      2  -10.640000    1.376605    1.376703
+!      2  -10.660000    1.376799    1.376897
+!      2  -10.680000    1.376993    1.377091
+!      2  -10.700000    1.377186    1.377283
+!      2  -10.720000    1.377378    1.377476
+!      2  -10.740000    1.377571    1.377668
+!      2  -10.760000    1.377762    1.377859
+!      2  -10.780000    1.377953    1.378050
+!      2  -10.800000    1.378144    1.378240
+!      2  -10.820000    1.378333    1.378430
+!      2  -10.840000    1.378523    1.378619
+!      2  -10.860000    1.378712    1.378808
+!      2  -10.880000    1.378900    1.378996
+!      2  -10.900000    1.379088    1.379183
+!      2  -10.920000    1.379275    1.379371
+!      2  -10.940000    1.379462    1.379557
+!      2  -10.960000    1.379649    1.379743
+!      2  -10.980000    1.379834    1.379929
+!      2  -11.000000    1.380020    1.380114
+!      2  -11.020000    1.380204    1.380299
+!      2  -11.040000    1.380389    1.380483
+!      2  -11.060000    1.380573    1.380666
+!      2  -11.080000    1.380756    1.380849
+!      2  -11.100000    1.380939    1.381032
+!      2  -11.120000    1.381121    1.381214
+!      2  -11.140000    1.381303    1.381396
+!      2  -11.160000    1.381484    1.381577
+!      2  -11.180000    1.381665    1.381758
+!      2  -11.200000    1.381845    1.381938
+!      2  -11.220000    1.382025    1.382117
+!      2  -11.240000    1.382205    1.382297
+!      2  -11.260000    1.382384    1.382475
+!      2  -11.280000    1.382562    1.382654
+!      2  -11.300000    1.382740    1.382831
+!      2  -11.320000    1.382917    1.383009
+!      2  -11.340000    1.383094    1.383185
+!      2  -11.360000    1.383271    1.383362
+!      2  -11.380000    1.383447    1.383538
+!      2  -11.400000    1.383623    1.383713
+!      2  -11.420000    1.383798    1.383888
+!      2  -11.440000    1.383973    1.384063
+!      2  -11.460000    1.384147    1.384237
+!      2  -11.480000    1.384321    1.384410
+!      2  -11.500000    1.384494    1.384583
+!      2  -11.520000    1.384667    1.384756
+!      2  -11.540000    1.384839    1.384928
+!      2  -11.560000    1.385011    1.385100
+!      2  -11.580000    1.385183    1.385272
+!      2  -11.600000    1.385354    1.385442
+!      2  -11.620000    1.385524    1.385613
+!      2  -11.640000    1.385695    1.385783
+!      2  -11.660000    1.385864    1.385952
+!      2  -11.680000    1.386034    1.386122
+!      2  -11.700000    1.386203    1.386290
+!      2  -11.720000    1.386371    1.386459
+!      2  -11.740000    1.386539    1.386626
+!      2  -11.760000    1.386707    1.386794
+!      2  -11.780000    1.386874    1.386961
+!      2  -11.800000    1.387041    1.387127
+!      2  -11.820000    1.387207    1.387294
+!      2  -11.840000    1.387373    1.387459
+!      2  -11.860000    1.387538    1.387625
+!      2  -11.880000    1.387703    1.387789
+!      2  -11.900000    1.387868    1.387954
+!      2  -11.920000    1.388032    1.388118
+!      2  -11.940000    1.388196    1.388282
+!      2  -11.960000    1.388359    1.388445
+!      2  -11.980000    1.388522    1.388608
+
+log derivativve data for plotting, l= 3
+atan(r * ((d psi(r)/dr)/psi(r))), r=  1.21
+l, energy, all-electron, pseudopotential
+
+!      3   12.000000   -1.509629   -1.492705
+!      3   11.980000   -1.508771   -1.491850
+!      3   11.960000   -1.507910   -1.490992
+!      3   11.940000   -1.507045   -1.490130
+!      3   11.920000   -1.506179   -1.489265
+!      3   11.900000   -1.505309   -1.488397
+!      3   11.880000   -1.504436   -1.487525
+!      3   11.860000   -1.503560   -1.486649
+!      3   11.840000   -1.502681   -1.485771
+!      3   11.820000   -1.501799   -1.484888
+!      3   11.800000   -1.500913   -1.484002
+!      3   11.780000   -1.500025   -1.483113
+!      3   11.760000   -1.499133   -1.482220
+!      3   11.740000   -1.498238   -1.481323
+!      3   11.720000   -1.497340   -1.480422
+!      3   11.700000   -1.496438   -1.479518
+!      3   11.680000   -1.495534   -1.478609
+!      3   11.660000   -1.494625   -1.477697
+!      3   11.640000   -1.493713   -1.476781
+!      3   11.620000   -1.492798   -1.475861
+!      3   11.600000   -1.491879   -1.474937
+!      3   11.580000   -1.490957   -1.474009
+!      3   11.560000   -1.490031   -1.473077
+!      3   11.540000   -1.489101   -1.472141
+!      3   11.520000   -1.488167   -1.471201
+!      3   11.500000   -1.487230   -1.470256
+!      3   11.480000   -1.486289   -1.469307
+!      3   11.460000   -1.485344   -1.468354
+!      3   11.440000   -1.484395   -1.467397
+!      3   11.420000   -1.483443   -1.466435
+!      3   11.400000   -1.482486   -1.465468
+!      3   11.380000   -1.481525   -1.464497
+!      3   11.360000   -1.480560   -1.463522
+!      3   11.340000   -1.479592   -1.462542
+!      3   11.320000   -1.478618   -1.461558
+!      3   11.300000   -1.477641   -1.460568
+!      3   11.280000   -1.476659   -1.459574
+!      3   11.260000   -1.475674   -1.458575
+!      3   11.240000   -1.474683   -1.457572
+!      3   11.220000   -1.473689   -1.456563
+!      3   11.200000   -1.472689   -1.455550
+!      3   11.180000   -1.471686   -1.454531
+!      3   11.160000   -1.470678   -1.453507
+!      3   11.140000   -1.469665   -1.452479
+!      3   11.120000   -1.468647   -1.451445
+!      3   11.100000   -1.467625   -1.450406
+!      3   11.080000   -1.466598   -1.449361
+!      3   11.060000   -1.465566   -1.448312
+!      3   11.040000   -1.464529   -1.447257
+!      3   11.020000   -1.463487   -1.446196
+!      3   11.000000   -1.462441   -1.445130
+!      3   10.980000   -1.461389   -1.444058
+!      3   10.960000   -1.460332   -1.442981
+!      3   10.940000   -1.459270   -1.441898
+!      3   10.920000   -1.458202   -1.440809
+!      3   10.900000   -1.457130   -1.439715
+!      3   10.880000   -1.456052   -1.438614
+!      3   10.860000   -1.454968   -1.437508
+!      3   10.840000   -1.453880   -1.436395
+!      3   10.820000   -1.452785   -1.435277
+!      3   10.800000   -1.451685   -1.434152
+!      3   10.780000   -1.450579   -1.433021
+!      3   10.760000   -1.449468   -1.431884
+!      3   10.740000   -1.448351   -1.430740
+!      3   10.720000   -1.447227   -1.429590
+!      3   10.700000   -1.446098   -1.428434
+!      3   10.680000   -1.444963   -1.427271
+!      3   10.660000   -1.443822   -1.426101
+!      3   10.640000   -1.442675   -1.424925
+!      3   10.620000   -1.441521   -1.423742
+!      3   10.600000   -1.440362   -1.422552
+!      3   10.580000   -1.439196   -1.421355
+!      3   10.560000   -1.438023   -1.420150
+!      3   10.540000   -1.436844   -1.418939
+!      3   10.520000   -1.435658   -1.417721
+!      3   10.500000   -1.434466   -1.416495
+!      3   10.480000   -1.433267   -1.415263
+!      3   10.460000   -1.432061   -1.414022
+!      3   10.440000   -1.430848   -1.412774
+!      3   10.420000   -1.429629   -1.411519
+!      3   10.400000   -1.428402   -1.410256
+!      3   10.380000   -1.427168   -1.408985
+!      3   10.360000   -1.425927   -1.407706
+!      3   10.340000   -1.424679   -1.406419
+!      3   10.320000   -1.423423   -1.405125
+!      3   10.300000   -1.422160   -1.403822
+!      3   10.280000   -1.420889   -1.402511
+!      3   10.260000   -1.419611   -1.401191
+!      3   10.240000   -1.418325   -1.399864
+!      3   10.220000   -1.417031   -1.398527
+!      3   10.200000   -1.415729   -1.397182
+!      3   10.180000   -1.414419   -1.395829
+!      3   10.160000   -1.413101   -1.394466
+!      3   10.140000   -1.411775   -1.393095
+!      3   10.120000   -1.410441   -1.391715
+!      3   10.100000   -1.409098   -1.390325
+!      3   10.080000   -1.407747   -1.388926
+!      3   10.060000   -1.406387   -1.387518
+!      3   10.040000   -1.405018   -1.386101
+!      3   10.020000   -1.403641   -1.384674
+!      3   10.000000   -1.402255   -1.383237
+!      3    9.980000   -1.400859   -1.381791
+!      3    9.960000   -1.399455   -1.380334
+!      3    9.940000   -1.398041   -1.378868
+!      3    9.920000   -1.396619   -1.377392
+!      3    9.900000   -1.395186   -1.375905
+!      3    9.880000   -1.393744   -1.374408
+!      3    9.860000   -1.392293   -1.372900
+!      3    9.840000   -1.390831   -1.371382
+!      3    9.820000   -1.389360   -1.369853
+!      3    9.800000   -1.387879   -1.368313
+!      3    9.780000   -1.386387   -1.366762
+!      3    9.760000   -1.384886   -1.365200
+!      3    9.740000   -1.383374   -1.363627
+!      3    9.720000   -1.381851   -1.362042
+!      3    9.700000   -1.380318   -1.360446
+!      3    9.680000   -1.378774   -1.358838
+!      3    9.660000   -1.377219   -1.357218
+!      3    9.640000   -1.375652   -1.355586
+!      3    9.620000   -1.374075   -1.353942
+!      3    9.600000   -1.372487   -1.352286
+!      3    9.580000   -1.370887   -1.350618
+!      3    9.560000   -1.369275   -1.348936
+!      3    9.540000   -1.367652   -1.347242
+!      3    9.520000   -1.366016   -1.345536
+!      3    9.500000   -1.364369   -1.343816
+!      3    9.480000   -1.362709   -1.342082
+!      3    9.460000   -1.361037   -1.340336
+!      3    9.440000   -1.359353   -1.338576
+!      3    9.420000   -1.357656   -1.336802
+!      3    9.400000   -1.355946   -1.335014
+!      3    9.380000   -1.354223   -1.333212
+!      3    9.360000   -1.352487   -1.331396
+!      3    9.340000   -1.350738   -1.329566
+!      3    9.320000   -1.348975   -1.327721
+!      3    9.300000   -1.347198   -1.325861
+!      3    9.280000   -1.345408   -1.323986
+!      3    9.260000   -1.343603   -1.322096
+!      3    9.240000   -1.341785   -1.320190
+!      3    9.220000   -1.339951   -1.318269
+!      3    9.200000   -1.338104   -1.316332
+!      3    9.180000   -1.336241   -1.314379
+!      3    9.160000   -1.334364   -1.312410
+!      3    9.140000   -1.332472   -1.310424
+!      3    9.120000   -1.330564   -1.308422
+!      3    9.100000   -1.328640   -1.306403
+!      3    9.080000   -1.326701   -1.304367
+!      3    9.060000   -1.324746   -1.302313
+!      3    9.040000   -1.322774   -1.300242
+!      3    9.020000   -1.320787   -1.298154
+!      3    9.000000   -1.318782   -1.296047
+!      3    8.980000   -1.316761   -1.293922
+!      3    8.960000   -1.314723   -1.291778
+!      3    8.940000   -1.312667   -1.289616
+!      3    8.920000   -1.310594   -1.287435
+!      3    8.900000   -1.308503   -1.285234
+!      3    8.880000   -1.306394   -1.283014
+!      3    8.860000   -1.304267   -1.280775
+!      3    8.840000   -1.302121   -1.278515
+!      3    8.820000   -1.299957   -1.276235
+!      3    8.800000   -1.297774   -1.273934
+!      3    8.780000   -1.295571   -1.271613
+!      3    8.760000   -1.293349   -1.269270
+!      3    8.740000   -1.291107   -1.266906
+!      3    8.720000   -1.288845   -1.264520
+!      3    8.700000   -1.286562   -1.262112
+!      3    8.680000   -1.284259   -1.259682
+!      3    8.660000   -1.281935   -1.257229
+!      3    8.640000   -1.279590   -1.254753
+!      3    8.620000   -1.277223   -1.252253
+!      3    8.600000   -1.274835   -1.249730
+!      3    8.580000   -1.272424   -1.247184
+!      3    8.560000   -1.269991   -1.244612
+!      3    8.540000   -1.267535   -1.242017
+!      3    8.520000   -1.265056   -1.239396
+!      3    8.500000   -1.262554   -1.236750
+!      3    8.480000   -1.260028   -1.234078
+!      3    8.460000   -1.257478   -1.231380
+!      3    8.440000   -1.254903   -1.228656
+!      3    8.420000   -1.252304   -1.225904
+!      3    8.400000   -1.249679   -1.223126
+!      3    8.380000   -1.247029   -1.220320
+!      3    8.360000   -1.244353   -1.217486
+!      3    8.340000   -1.241651   -1.214623
+!      3    8.320000   -1.238923   -1.211732
+!      3    8.300000   -1.236167   -1.208812
+!      3    8.280000   -1.233384   -1.205861
+!      3    8.260000   -1.230573   -1.202881
+!      3    8.240000   -1.227734   -1.199870
+!      3    8.220000   -1.224866   -1.196829
+!      3    8.200000   -1.221969   -1.193755
+!      3    8.180000   -1.219043   -1.190650
+!      3    8.160000   -1.216087   -1.187513
+!      3    8.140000   -1.213100   -1.184342
+!      3    8.120000   -1.210083   -1.181138
+!      3    8.100000   -1.207034   -1.177901
+!      3    8.080000   -1.203953   -1.174629
+!      3    8.060000   -1.200841   -1.171322
+!      3    8.040000   -1.197696   -1.167980
+!      3    8.020000   -1.194517   -1.164602
+!      3    8.000000   -1.191305   -1.161187
+!      3    7.980000   -1.188058   -1.157736
+!      3    7.960000   -1.184777   -1.154247
+!      3    7.940000   -1.181461   -1.150720
+!      3    7.920000   -1.178109   -1.147154
+!      3    7.900000   -1.174720   -1.143549
+!      3    7.880000   -1.171295   -1.139904
+!      3    7.860000   -1.167832   -1.136219
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+!      3   -6.360000    1.346315    1.346573
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+!      3   -6.500000    1.348099    1.348348
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+!      3   -6.540000    1.348602    1.348848
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+!      3   -6.600000    1.349350    1.349592
+!      3   -6.620000    1.349598    1.349839
+!      3   -6.640000    1.349845    1.350085
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+!      3   -6.680000    1.350337    1.350575
+!      3   -6.700000    1.350582    1.350819
+!      3   -6.720000    1.350826    1.351062
+!      3   -6.740000    1.351070    1.351304
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+!      3   -6.940000    1.353465    1.353688
+!      3   -6.960000    1.353700    1.353922
+!      3   -6.980000    1.353935    1.354156
+!      3   -7.000000    1.354169    1.354389
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+!      3   -7.100000    1.355330    1.355545
+!      3   -7.120000    1.355560    1.355774
+!      3   -7.140000    1.355790    1.356003
+!      3   -7.160000    1.356019    1.356231
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+!      3   -7.200000    1.356474    1.356684
+!      3   -7.220000    1.356701    1.356910
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+!      3   -7.560000    1.360460    1.360653
+!      3   -7.580000    1.360675    1.360868
+!      3   -7.600000    1.360890    1.361082
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+!      3   -7.640000    1.361318    1.361508
+!      3   -7.660000    1.361531    1.361721
+!      3   -7.680000    1.361744    1.361932
+!      3   -7.700000    1.361956    1.362143
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+!      3   -8.340000    1.368442    1.368606
+!      3   -8.360000    1.368636    1.368799
+!      3   -8.380000    1.368830    1.368992
+!      3   -8.400000    1.369023    1.369184
+!      3   -8.420000    1.369215    1.369376
+!      3   -8.440000    1.369407    1.369567
+!      3   -8.460000    1.369598    1.369758
+!      3   -8.480000    1.369789    1.369948
+!      3   -8.500000    1.369979    1.370138
+!      3   -8.520000    1.370169    1.370327
+!      3   -8.540000    1.370359    1.370516
+!      3   -8.560000    1.370548    1.370704
+!      3   -8.580000    1.370736    1.370892
+!      3   -8.600000    1.370924    1.371079
+!      3   -8.620000    1.371111    1.371266
+!      3   -8.640000    1.371298    1.371452
+!      3   -8.660000    1.371485    1.371638
+!      3   -8.680000    1.371671    1.371823
+!      3   -8.700000    1.371856    1.372008
+!      3   -8.720000    1.372041    1.372193
+!      3   -8.740000    1.372226    1.372377
+!      3   -8.760000    1.372410    1.372560
+!      3   -8.780000    1.372594    1.372743
+!      3   -8.800000    1.372777    1.372926
+!      3   -8.820000    1.372960    1.373108
+!      3   -8.840000    1.373142    1.373290
+!      3   -8.860000    1.373324    1.373471
+!      3   -8.880000    1.373505    1.373652
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+!      3   -8.920000    1.373866    1.374012
+!      3   -8.940000    1.374046    1.374191
+!      3   -8.960000    1.374226    1.374370
+!      3   -8.980000    1.374405    1.374549
+!      3   -9.000000    1.374583    1.374727
+!      3   -9.020000    1.374761    1.374904
+!      3   -9.040000    1.374939    1.375081
+!      3   -9.060000    1.375116    1.375258
+!      3   -9.080000    1.375293    1.375434
+!      3   -9.100000    1.375470    1.375610
+!      3   -9.120000    1.375645    1.375786
+!      3   -9.140000    1.375821    1.375961
+!      3   -9.160000    1.375996    1.376135
+!      3   -9.180000    1.376171    1.376309
+!      3   -9.200000    1.376345    1.376483
+!      3   -9.220000    1.376519    1.376656
+!      3   -9.240000    1.376692    1.376829
+!      3   -9.260000    1.376865    1.377001
+!      3   -9.280000    1.377037    1.377173
+!      3   -9.300000    1.377210    1.377345
+!      3   -9.320000    1.377381    1.377516
+!      3   -9.340000    1.377552    1.377687
+!      3   -9.360000    1.377723    1.377857
+!      3   -9.380000    1.377894    1.378027
+!      3   -9.400000    1.378064    1.378197
+!      3   -9.420000    1.378233    1.378366
+!      3   -9.440000    1.378402    1.378534
+!      3   -9.460000    1.378571    1.378703
+!      3   -9.480000    1.378740    1.378871
+!      3   -9.500000    1.378907    1.379038
+!      3   -9.520000    1.379075    1.379205
+!      3   -9.540000    1.379242    1.379372
+!      3   -9.560000    1.379409    1.379538
+!      3   -9.580000    1.379575    1.379704
+!      3   -9.600000    1.379741    1.379869
+!      3   -9.620000    1.379907    1.380034
+!      3   -9.640000    1.380072    1.380199
+!      3   -9.660000    1.380237    1.380363
+!      3   -9.680000    1.380401    1.380527
+!      3   -9.700000    1.380565    1.380691
+!      3   -9.720000    1.380729    1.380854
+!      3   -9.740000    1.380892    1.381017
+!      3   -9.760000    1.381054    1.381179
+!      3   -9.780000    1.381217    1.381341
+!      3   -9.800000    1.381379    1.381503
+!      3   -9.820000    1.381541    1.381664
+!      3   -9.840000    1.381702    1.381825
+!      3   -9.860000    1.381863    1.381985
+!      3   -9.880000    1.382023    1.382145
+!      3   -9.900000    1.382183    1.382305
+!      3   -9.920000    1.382343    1.382464
+!      3   -9.940000    1.382503    1.382623
+!      3   -9.960000    1.382662    1.382782
+!      3   -9.980000    1.382820    1.382940
+!      3  -10.000000    1.382978    1.383098
+!      3  -10.020000    1.383136    1.383255
+!      3  -10.040000    1.383294    1.383413
+!      3  -10.060000    1.383451    1.383569
+!      3  -10.080000    1.383608    1.383726
+!      3  -10.100000    1.383764    1.383882
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+!      3  -10.540000    1.387117    1.387226
+!      3  -10.560000    1.387265    1.387374
+!      3  -10.580000    1.387413    1.387522
+!      3  -10.600000    1.387561    1.387669
+!      3  -10.620000    1.387709    1.387817
+!      3  -10.640000    1.387856    1.387963
+!      3  -10.660000    1.388003    1.388110
+!      3  -10.680000    1.388149    1.388256
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+!      3  -10.740000    1.388587    1.388692
+!      3  -10.760000    1.388732    1.388837
+!      3  -10.780000    1.388877    1.388982
+!      3  -10.800000    1.389021    1.389126
+!      3  -10.820000    1.389165    1.389270
+!      3  -10.840000    1.389309    1.389413
+!      3  -10.860000    1.389453    1.389557
+!      3  -10.880000    1.389596    1.389700
+!      3  -10.900000    1.389739    1.389842
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+!      3  -10.940000    1.390024    1.390127
+!      3  -10.960000    1.390166    1.390268
+!      3  -10.980000    1.390308    1.390410
+!      3  -11.000000    1.390449    1.390551
+!      3  -11.020000    1.390590    1.390692
+!      3  -11.040000    1.390731    1.390832
+!      3  -11.060000    1.390872    1.390972
+!      3  -11.080000    1.391012    1.391112
+!      3  -11.100000    1.391152    1.391252
+!      3  -11.120000    1.391291    1.391391
+!      3  -11.140000    1.391431    1.391530
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+!      3  -11.200000    1.391847    1.391945
+!      3  -11.220000    1.391985    1.392083
+!      3  -11.240000    1.392122    1.392220
+!      3  -11.260000    1.392260    1.392358
+!      3  -11.280000    1.392397    1.392495
+!      3  -11.300000    1.392534    1.392631
+!      3  -11.320000    1.392671    1.392768
+!      3  -11.340000    1.392807    1.392904
+!      3  -11.360000    1.392943    1.393039
+!      3  -11.380000    1.393079    1.393175
+!      3  -11.400000    1.393214    1.393310
+!      3  -11.420000    1.393349    1.393445
+!      3  -11.440000    1.393484    1.393579
+!      3  -11.460000    1.393619    1.393714
+!      3  -11.480000    1.393753    1.393848
+!      3  -11.500000    1.393887    1.393982
+!      3  -11.520000    1.394021    1.394115
+!      3  -11.540000    1.394154    1.394248
+!      3  -11.560000    1.394287    1.394381
+!      3  -11.580000    1.394420    1.394514
+!      3  -11.600000    1.394553    1.394646
+!      3  -11.620000    1.394685    1.394778
+!      3  -11.640000    1.394817    1.394910
+!      3  -11.660000    1.394949    1.395042
+!      3  -11.680000    1.395081    1.395173
+!      3  -11.700000    1.395212    1.395304
+!      3  -11.720000    1.395343    1.395435
+!      3  -11.740000    1.395474    1.395565
+!      3  -11.760000    1.395604    1.395695
+!      3  -11.780000    1.395734    1.395825
+!      3  -11.800000    1.395864    1.395955
+!      3  -11.820000    1.395994    1.396084
+!      3  -11.840000    1.396123    1.396213
+!      3  -11.860000    1.396252    1.396342
+!      3  -11.880000    1.396381    1.396471
+!      3  -11.900000    1.396510    1.396599
+!      3  -11.920000    1.396638    1.396727
+!      3  -11.940000    1.396766    1.396855
+!      3  -11.960000    1.396894    1.396982
+!      3  -11.980000    1.397021    1.397110
+GNUSCRIPT
+set term wxt font "arial,14" size 800,600
+
+set termoption dash
+
+set termoption noenhanced
+
+set style line 1 lw 3 lt 1 lc rgb "#D00000"
+
+set style line 2 lw 3 lt 1 lc rgb "#00B000"
+
+set style line 3 lw 3 lt 1 lc rgb "#2020FF"
+
+set style line 4 lw 3 lt 1 lc rgb "#FF8000"
+
+set style line 5 lw 3 lt 1 lc rgb "#E000E0"
+
+set style line 6 lw 3 lt 1 lc rgb "#303030"
+
+set style line 7 lw 3 lt 2 lc rgb "#D00000"
+
+set style line 8 lw 3 lt 2 lc rgb "#00B000"
+
+set style line 9 lw 3 lt 2 lc rgb "#2020FF"
+
+set style line 10 lw 3 lt 2 lc rgb "#FF8000"
+
+set style line 11 lw 3 lt 2 lc rgb "#E000E0"
+
+set style line 12 lw 3 lt 2 lc rgb "#303030"
+
+set title "t2   Semi-Local Ion Pseudopotentials"
+
+set xlabel "Radius (a_B)"
+
+plot    "<grep '!p' t1" using 2:4 title "S" with lines ls 1,\
+        "<grep '!p' t1" using 2:5 title "P" with lines ls 2,\
+        "<grep '!p' t1" using 2:6 title "D" with lines ls 3,\
+        "<grep '!L' t1" using 2:3 title "Loc" with lines ls 11
+
+pause -1 "Hit enter to continue"
+
+set title "t2   Charge Densities"
+
+set xlabel "Radius (a_B)"
+
+plot    "<grep '!r' t1" using 2:3 title "rhoV" with lines ls 1,\
+        "<grep '!r' t1" using 2:4 title "rhoC" with lines ls 2,\
+        "<grep '!r' t1" using 2:5 title "rhoM" with lines ls 3
+
+
+pause -1 "Hit enter to continue"
+
+set title "t2   Wave Function set 1, E=   -0.88 Ha"
+
+set xlabel "Radius (a_B)"
+
+plot    "<grep '&    10' t1" using 3:4 title "S full" with lines ls 1,\
+        "<grep '&    10' t1" using 3:5 title "S pseudo" with lines ls 8
+
+pause -1 "Hit enter to continue"
+
+set title "t2   Wave Function set 2, E=    0.12 Ha"
+
+set xlabel "Radius (a_B)"
+
+plot    "<grep '&    20' t1" using 3:4 title "S full" with lines ls 1,\
+        "<grep '&    20' t1" using 3:5 title "S pseudo" with lines ls 8
+
+pause -1 "Hit enter to continue"
+
+set xlabel "Radius (a_B)"
+
+set title "t2   S Projs. evkb(:) =   5.93E+00   7.88E-01 Ha"
+
+plot    "<grep '!J     0' t1" using 3:4 title "Prj 1" with lines ls 1,\
+        "<grep '!J     0' t1" using 3:5 title "Prj 2" with lines ls 2
+
+
+pause -1 "Hit enter to continue"
+
+set title "t2   ARCTAN(Log Derivatives)"
+
+set xlabel "Energy (Ha)"
+
+plot    "<grep '!      0' t1" using 3:4 title "S   full" with lines ls 1,\
+        "<grep '!      0' t1" using 3:5 title "S pseudo" with lines ls 8
+
+pause -1 "Hit enter to continue"
+
+set title "t2   Wave Function set 1, E=   -0.33 Ha"
+
+set xlabel "Radius (a_B)"
+
+plot    "<grep '&    11' t1" using 3:4 title "P full" with lines ls 3,\
+        "<grep '&    11' t1" using 3:5 title "P pseudo" with lines ls 10
+
+pause -1 "Hit enter to continue"
+
+set title "t2   Wave Function set 2, E=    0.67 Ha"
+
+set xlabel "Radius (a_B)"
+
+plot    "<grep '&    21' t1" using 3:4 title "P full" with lines ls 3,\
+        "<grep '&    21' t1" using 3:5 title "P pseudo" with lines ls 10
+
+pause -1 "Hit enter to continue"
+
+set xlabel "Radius (a_B)"
+
+set title "t2   P Projs. evkb(:) =  -4.73E+00  -1.12E+00 Ha"
+
+plot    "<grep '!J     1' t1" using 3:4 title "Prj 1" with lines ls 1,\
+        "<grep '!J     1' t1" using 3:5 title "Prj 2" with lines ls 2
+
+
+pause -1 "Hit enter to continue"
+
+set title "t2   ARCTAN(Log Derivatives)"
+
+set xlabel "Energy (Ha)"
+
+plot    "<grep '!      1' t1" using 3:4 title "P   full" with lines ls 3,\
+        "<grep '!      1' t1" using 3:5 title "P pseudo" with lines ls 10
+
+pause -1 "Hit enter to continue"
+
+set title "t2   Wave Function set 1, E=    0.10 Ha"
+
+set xlabel "Radius (a_B)"
+
+plot    "<grep '&    12' t1" using 3:4 title "D full" with lines ls 5,\
+        "<grep '&    12' t1" using 3:5 title "D pseudo" with lines ls 12
+
+pause -1 "Hit enter to continue"
+
+set xlabel "Radius (a_B)"
+
+set title "t2   D Projs. evkb(:) =  -1.38E+00 Ha"
+
+plot    "<grep '!J     2' t1" using 3:4 title "Prj 1" with lines ls 1
+
+
+pause -1 "Hit enter to continue"
+
+set title "t2   ARCTAN(Log Derivatives)"
+
+set xlabel "Energy (Ha)"
+
+plot    "<grep '!      2' t1" using 3:4 title "D   full" with lines ls 5,\
+        "<grep '!      2' t1" using 3:5 title "D pseudo" with lines ls 12
+
+pause -1 "Hit enter to continue"
+
+set title "t2   ARCTAN(Log Derivatives)"
+
+set xlabel "Energy (Ha)"
+
+plot    "<grep '!      3' t1" using 3:4 title "F   full" with lines ls 1,\
+        "<grep '!      3' t1" using 3:5 title "F pseudo" with lines ls 8
+
+pause -1 "Hit enter to continue"
+
+set  logscale y
+
+set  grid
+
+set  yrange [5.e-6:2.e-2]
+
+set title "t2   Energy Error per Electron (Ha)"
+
+set xlabel "Cutoff Energy (Ha)"
+
+plot    "<grep '!C     0' t1" using 3:4 title "S" with lines ls 1,\
+        "<grep '!C     1' t1" using 3:4 title "P" with lines ls 2,\
+        "<grep '!C     2' t1" using 3:4 title "D" with lines ls 3
+
+
+pause -1 "Hit enter to continue"
+
+END_GNU
+
+Begin PSPCODE8
+O     ONCVPSP-4.0.1  r_core=   1.35246   1.45312   1.25127
+      8.0000      6.0000      200603    zatom,zion,pspd
+     8 -106131   2     4   600     0    pspcod,pspxc,lmax,lloc,mmax,r2well
+  5.99000000  4.00000000  0.00000000    rchrg fchrg qchrg
+     2     2     1     0     0    nproj
+     1     1           extension_switch
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+     3  2.0000000000000E-02  1.8147926066821E-01 -5.1859360283156E-02
+     4  3.0000000000000E-02  2.7159427436457E-01 -7.7288302119398E-02
+     5  4.0000000000000E-02  3.6096035213354E-01 -1.0211579965986E-01
+     6  5.0000000000000E-02  4.4932891797957E-01 -1.2614057626894E-01
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+     8  7.0000000000000E-02  6.2208481630247E-01 -1.7097499909709E-01
+     9  8.0000000000000E-02  7.0598192116886E-01 -1.9138108202061E-01
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+<INPUT>
+#
+#ONCVPSP  (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
+#scalar-relativistic version 4.0.1 0r/27/2018
+#
+#While it is not required under the terms of the GNU GPL, it is
+#suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013)
+#in any publication utilizing these pseudopotentials.
+#
+# ATOM AND REFERENCE CONFIGURATION
+# atsym  z   nc   nv     iexc    psfile
+  O  8.00    1    2 -106131      both
+#
+#   n    l    f
+    1    0    2.00
+    2    0    2.00
+    2    1    4.00
+#
+# PSEUDOPOTENTIAL AND OPTIMIZATION
+# lmax
+    2
+#
+#   l,   rc,      ep,       ncon, nbas, qcut
+    0   1.35000   0.00000    4    8   8.40000
+    1   1.45000   0.00000    4    8   9.30000
+    2   1.25000   0.10000    4    8   6.00000
+#
+# LOCAL POTENTIAL
+# lloc, lpopt,  rc(5),   dvloc0
+    4    5   1.20000      0.00000
+#
+# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
+# l, nproj, debl
+    0    2   1.00000
+    1    2   1.00000
+    2    1   1.00000
+#
+# MODEL CORE CHARGE
+# icmod, fcfact, rcfact
+    3   4.00000   1.50000
+#
+# LOG DERIVATIVE ANALYSIS
+# epsh1, epsh2, depsh
+  -12.00   12.00    0.02
+#
+# OUTPUT GRID
+# rlmax, drl
+    6.00    0.01
+#
+# TEST CONFIGURATIONS
+# ncnf
+    0
+# nvcnf
+#   n    l    f
+</INPUT>
+
+END_PSP
+Updating nrl =   940 for uurcut =    9.39444
+
+Begin PSP_UPF
+<UPF version="2.0.1">
+  <PP_INFO>
+
+ This pseudopotential file has been produced using the code
+ ONCVPSP  (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
+ scalar-relativistic version 4.0.1 06/20/2107 by D. R. Hamann
+ The code is available through a link at URL www.mat-simresearch.com.
+ Documentation with the package provides a full discription of the
+ input data below.
+
+
+ While it is not required under the terms of the GNU GPL, it is
+ suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013)
+ in any publication using these pseudopotentials.
+
+    <PP_INPUTFILE>
+# ATOM AND REFERENCE CONFIGURATION
+# atsym  z   nc   nv     iexc    psfile
+  O  8.00    1    2 -106131      both
+#
+#   n    l    f        energy (Ha)
+    1    0    2.00
+    2    0    2.00
+    2    1    4.00
+#
+# PSEUDOPOTENTIAL AND OPTIMIZATION
+# lmax
+    2
+#
+#   l,   rc,      ep,       ncon, nbas, qcut
+    0   1.35000   0.00000    4    8   8.40000
+    1   1.45000   0.00000    4    8   9.30000
+    2   1.25000   0.10000    4    8   6.00000
+#
+# LOCAL POTENTIAL
+# lloc, lpopt,  rc(5),   dvloc0
+    4    5   1.20000      0.00000
+#
+# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
+# l, nproj, debl
+    0    2   1.00000
+    1    2   1.00000
+    2    1   1.00000
+#
+# MODEL CORE CHARGE
+# icmod, fcfact, rcfact
+    3   4.00000   1.50000
+#
+# LOG DERIVATIVE ANALYSIS
+# epsh1, epsh2, depsh
+  -12.00   12.00    0.02
+#
+# OUTPUT GRID
+# rlmax, drl
+    6.00    0.01
+#
+# TEST CONFIGURATIONS
+# ncnf
+    0
+# nvcnf
+#   n    l    f
+    </PP_INPUTFILE>
+  </PP_INFO>
+  <!--                               -->
+  <!-- END OF HUMAN READABLE SECTION -->
+  <!--                               -->
+    <PP_HEADER
+       generated="Generated using ONCVPSP code by D. R. Hamann"
+       author="anonymous"
+       date="200603"
+       comment=""
+       element="O "
+       pseudo_type="NC"
+       relativistic="scalar"
+       is_ultrasoft="F"
+       is_paw="F"
+       is_coulomb="F"
+       has_so="F"
+       has_wfc="F"
+       has_gipaw="F"
+       core_correction="T"
+       functional="BLYP"
+       z_valence="    6.00"
+       total_psenergy="  -3.15801374706E+01"
+       rho_cutoff="   9.39000000000E+00"
+       l_max="2"
+       l_local="-1"
+       mesh_size="   940"
+       number_of_wfc="2"
+       number_of_proj="5"/>
+ <PP_MESH>
+   <PP_R type="real"  size=" 940" columns="8">
+    0.0000    0.0100    0.0200    0.0300    0.0400    0.0500    0.0600    0.0700
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+    0.1600    0.1700    0.1800    0.1900    0.2000    0.2100    0.2200    0.2300
+    0.2400    0.2500    0.2600    0.2700    0.2800    0.2900    0.3000    0.3100
+    0.3200    0.3300    0.3400    0.3500    0.3600    0.3700    0.3800    0.3900
+    0.4000    0.4100    0.4200    0.4300    0.4400    0.4500    0.4600    0.4700
+    0.4800    0.4900    0.5000    0.5100    0.5200    0.5300    0.5400    0.5500
+    0.5600    0.5700    0.5800    0.5900    0.6000    0.6100    0.6200    0.6300
+    0.6400    0.6500    0.6600    0.6700    0.6800    0.6900    0.7000    0.7100
+    0.7200    0.7300    0.7400    0.7500    0.7600    0.7700    0.7800    0.7900
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+    3.1261210514E-05    3.0755974467E-05    3.0258902917E-05    2.9769863949E-05
+    2.9288727780E-05    2.8815366723E-05    2.8349655153E-05    2.7891469474E-05
+    2.7440688090E-05    2.6997191365E-05    2.6560861597E-05    2.6131582987E-05
+    2.5709241605E-05    2.5293725361E-05    2.4884923978E-05    2.4482728959E-05
+    2.4087033558E-05    2.3697732757E-05    2.3314723232E-05    2.2937903329E-05
+    2.2567173036E-05    2.2202433958E-05    2.1843589286E-05    2.1490543779E-05
+    2.1143203732E-05    2.0801476956E-05    2.0465272748E-05    2.0134501874E-05
+    1.9809076539E-05    1.9488910368E-05    1.9173918380E-05    1.8864016968E-05
+    1.8559123874E-05    1.8259158172E-05    1.7964040241E-05    1.7673691746E-05
+    1.7388035620E-05    1.7106996038E-05    1.6830498402E-05    1.6558469320E-05
+    1.6290836583E-05    1.6027529150E-05    1.5768477129E-05    1.5513611755E-05
+    1.5262865375E-05    1.5016171430E-05    1.4773464434E-05    1.4534679960E-05
+    1.4299754624E-05    1.4068626063E-05    1.3841232923E-05    1.3617514842E-05
+    1.3397412431E-05    1.3180867263E-05    1.2967821853E-05    1.2758219646E-05
+    1.2552005001E-05    1.2349123175E-05    1.2149520310E-05    1.1953143418E-05
+    1.1759940366E-05    1.1569859867E-05    1.1382851458E-05    1.1198865494E-05
+    1.1017853133E-05    1.0839766319E-05    1.0664557775E-05    1.0492180988E-05
+    1.0322590194E-05    1.0155740371E-05    9.9915872242E-06    9.8300871731E-06
+    9.6711973424E-06    9.5148755493E-06    9.3610802924E-06    9.2097707414E-06
+    9.0609067253E-06    8.9144487223E-06    8.7703578494E-06    8.6285958515E-06
+    8.4891250918E-06    8.3519085418E-06    8.2169097712E-06    8.0840929384E-06
+    7.9534227809E-06    7.8248646059E-06    7.6983842813E-06    7.5739482266E-06
+    7.4515234039E-06    7.3310773090E-06    7.2125779630E-06    7.0959939037E-06
+    6.9812941775E-06    6.8684483309E-06    6.7574264024E-06    6.6481989146E-06
+ </PP_RHOATOM>
+</UPF>
+
+END_PSP
diff --git a/pseudo_dojo/ppcodes/tests/test_oncvpsp.py b/pseudo_dojo/ppcodes/tests/test_oncvpsp.py
index 6be6389e..c95a4133 100644
--- a/pseudo_dojo/ppcodes/tests/test_oncvpsp.py
+++ b/pseudo_dojo/ppcodes/tests/test_oncvpsp.py
@@ -16,8 +16,10 @@ def filepath(basename):
 
 class OncvOutputParserTest(PseudoDojoTest):
 
-    def test_nonrelativistic(self):
-        """Parsing the non-relativistic output file produced by ONCVPSPS."""
+    def test_nonrelativistic_oxygen_v2(self):
+        """
+        Parsing the non-relativistic output file produced by ONCVPSPS v2
+        """
         # Non-relativistic results
         p = OncvOutputParser(filepath("08_O_nr.out"))
         repr(p); str(p)
@@ -29,6 +31,9 @@ def test_nonrelativistic(self):
         assert p.calc_type == "non-relativistic"
         assert not p.fully_relativistic
         assert p.version == "2.1.1"
+        assert p.major_version == 2
+        assert p.minor_version == 1
+        assert p.patch_level == 1
 
         assert p.atsym == "O"
         assert p.z == "8.00"
@@ -45,7 +50,7 @@ def test_nonrelativistic(self):
         assert all(rhom.values == 0.0)
 
         # Conversion to JSON format.
-        p.to_dict
+        assert p.to_dict
 
         # Build the plotter
         plotter = p.make_plotter()
@@ -54,8 +59,10 @@ def test_nonrelativistic(self):
 
         #if self.has_nbformat():
 
-    def test_scalar_relativistic(self):
-        """Parsing the scalar-relativistic output file produced by ONCVPSPS."""
+    def test_scalar_relativistic_oxygen_v2(self):
+        """
+        Parsing the scalar-relativistic output file produced by ONCVPSPS v2
+        """
         # Scalar relativistic output
         p = OncvOutputParser(filepath("08_O_sr.out"))
         p.scan(verbose=1)
@@ -78,7 +85,7 @@ def test_scalar_relativistic(self):
         pl0 = {0: -7.4449470, 1: -14.6551019, -1: -9.5661177}
 
         for l, pot in p.potentials.items():
-            assert pot.rmesh[0], pot.rmesh[-1] == (0.0099448, 3.9647436)
+            assert (pot.rmesh[0], pot.rmesh[-1]) == (0.0099448, 3.9647436)
             str(l)
             assert pot.values[0] == pl0[l]
             assert all(pot.rmesh == vloc.rmesh)
@@ -119,13 +126,13 @@ def test_scalar_relativistic(self):
 
         # Test log derivatives
         ae0, ps0 = p.atan_logders.ae[0], p.atan_logders.ps[0]
-        assert ae0.energies[0], ae0.values[0] == (2.000000, 0.706765)
-        assert ps0.energies[0], ps0.values[0] == (2.000000, 0.703758)
-        assert ae0.energies[-1], ae0.energies[-1] == (-2.000000, 3.906687)
-        assert ps0.energies[-1], ps0.energies[-1] == (-2.000000, 3.906357)
+        assert (ae0.energies[0], ae0.values[0]) == (2.000000, 0.706765)
+        assert (ps0.energies[0], ps0.values[0]) == (2.000000, 0.703758)
+        assert ae0.energies[-1] == -2.000000
+        assert ps0.energies[-1] == -2.000000
 
         ae1, ps1 = p.atan_logders.ae[1], p.atan_logders.ps[1]
-        assert ae1.energies[0], ae1.values[0] == (2.000000, -2.523018)
+        assert (ae1.energies[0], ae1.values[0]) == (2.000000, -2.523018)
         assert ps1.values[0] == -2.521334
 
         # Build the plotter
@@ -133,8 +140,10 @@ def test_scalar_relativistic(self):
         repr(plotter); str(plotter)
         self._call_plotter_methods(plotter)
 
-    def test_full_relativistic(self):
-        """Parsing the full-relativistic output file produced by ONCVPSPS."""
+    def test_fully_relativistic_oxygen_v2(self):
+        """
+        Parsing the fully-relativistic output file produced by ONCVPSPS v2
+        """
         p = OncvOutputParser(filepath("08_O_r.out"))
 
         p.scan(verbose=1)
@@ -159,6 +168,88 @@ def test_full_relativistic(self):
         repr(plotter); str(plotter)
         self._call_plotter_methods(plotter)
 
+    def test_scalar_relativistic_oxygen_v4(self):
+        """
+        Parsing the scalar-relativistic output file produced by ONCVPSPS v4
+        """
+        # Scalar relativistic output
+        p = OncvOutputParser(filepath("O_sr_v4.out"))
+        p.scan(verbose=1)
+        repr(p); str(p)
+        assert p.run_completed
+
+        assert not p.fully_relativistic
+        assert p.calc_type == "scalar-relativistic"
+        assert p.version == "4.0.1"
+
+        assert p.atsym == "O"
+        assert p.z == "8.00"
+        assert p.iexc == "-106131"
+        assert p.nc == 1
+        assert p.nv == 2
+        assert p.lmax == 2
+
+        # Test potentials
+        vloc = p.potentials[-1]
+        pl0 = {0: -4.6445128, 1: -15.3234007, 2: 20.9698547, -1: -10.0124145}
+
+        for l, pot in p.potentials.items():
+            assert (pot.rmesh[0], pot.rmesh[-1]) == (0.0099582, 2.4161798)
+            str(l)
+            assert pot.values[0] == pl0[l]
+            assert all(pot.rmesh == vloc.rmesh)
+
+        # Test wavefunctions
+        ae_wfs, ps_wfs = p.radial_wfs.ae, p.radial_wfs.ps
+
+        nlk = (2, 0, None)
+        ae20, ps20 = ae_wfs[nlk], ps_wfs[nlk]
+        assert ae20[0] == (0.009958, -0.093703)
+        assert ps20[0] == (0.009958,  0.013614)
+        assert ae20[-1] == (5.998219, 0.002734)
+        assert ps20[-1] == (5.998219, 0.002734)
+
+        nlk = (2, 1, None)
+        ae21, ps21 = ae_wfs[nlk], ps_wfs[nlk]
+        assert ae21[0] == (0.009958, 0.001474)
+        assert ps21[0] == (0.009958, 0.000456)
+
+        # Test projectors
+        prjs = p.projectors
+        assert prjs[(1, 0, None)][0] == (0.009958, 0.090486)
+        assert prjs[(2, 0, None)][0] == (0.009958, -0.025921)
+        assert prjs[(1, 0, None)][-1] == (1.580056, -0.000000)
+        assert prjs[(2, 0, None)][-1] == (1.580056, -0.000000)
+
+        assert prjs[(1, 1, None)][0] == (0.009958, 0.002057)
+        assert prjs[(2, 1, None)][0] == (0.009958, -0.000854)
+
+        # Test convergence data
+        c = p.ene_vs_ecut
+        assert c[0].energies[0] == 12.172858
+        assert c[0].values[0] == 0.010000
+        assert c[0].energies[-1] == 32.408732
+        assert c[0].values[-1] == 0.000010
+        assert c[1].energies[0] == 23.772439
+        assert c[1].values[0] == 0.010000
+
+        # Test log derivatives
+        ae0, ps0 = p.atan_logders.ae[0], p.atan_logders.ps[0]
+        assert (ae0.energies[0], ae0.values[0]) == (12.000000, -1.601062)
+        assert (ps0.energies[0], ps0.values[0]) == (12.000000, -1.611618)
+
+        assert (ae0.energies[-1], ae0.values[-1]) == (-11.980000, 4.528242)
+        assert (ps0.energies[-1], ps0.values[-1]) == (-11.980000, 4.528290)
+
+        ae1, ps1 = p.atan_logders.ae[1], p.atan_logders.ps[1]
+        assert (ae1.energies[0], ae1.values[0]) == (12.000000, 1.066272)
+        assert ps1.values[0] == 1.286771
+
+        # Build the plotter
+        plotter = p.make_plotter()
+        repr(plotter); str(plotter)
+        self._call_plotter_methods(plotter)
+
     def _call_plotter_methods(self, plotter):
         if self.has_matplotlib():
             assert plotter.plot_atan_logders(show=False)
@@ -175,6 +266,9 @@ def _call_plotter_methods(self, plotter):
             assert plotter.plot_den_formfact(ecut=40, show=False)
 
     def test_psp8_get_densities(self):
+        """
+        Testing get_densities from psp8 format.
+        """
         n = psp8_get_densities(pdj_data.pseudopath("Lu-sp.psp8"), fc_file=sys.stdout,
                                ae_file=sys.stdout, plot=False)
         assert len(n.rmesh) == 600
diff --git a/pseudo_dojo/scripts/dojoncv.py b/pseudo_dojo/scripts/dojoncv.py
index afb51c62..f050ebff 100755
--- a/pseudo_dojo/scripts/dojoncv.py
+++ b/pseudo_dojo/scripts/dojoncv.py
@@ -31,7 +31,8 @@ def find_oncv_output(path):
 def oncv_nbplot(options):
     """Generate jupyter notebook to plot data. Requires oncvpsp output file."""
     out_path = find_oncv_output(options.filename)
-    return oncv_make_open_notebook(out_path)
+    return oncv_make_open_notebook(out_path, foreground=options.foreground, classic_notebook=options.classic_notebook,
+                                   no_browser=options.no_browser)
 
 
 def oncv_gnuplot(options):
@@ -63,37 +64,53 @@ def oncv_plot(options):
     # Build the plotter
     plotter = onc_parser.make_plotter()
 
+    if options.mpl_backend is not None:
+        # Set matplotlib backend
+        import matplotlib
+        matplotlib.use(options.mpl_backend)
+
+    if options.seaborn:
+        # Use seaborn settings.
+        import seaborn as sns
+        sns.set(context=options.seaborn, style='darkgrid', palette='deep',
+                font='sans-serif', font_scale=1, color_codes=False, rc=None)
+
     # Plot data
-    plotter.plot_radial_wfs()
-    plotter.plot_atanlogder_econv()
-    plotter.plot_projectors()
-    plotter.plot_potentials()
-    #plotter.plot_der_potentials()
-    #for order in [1,2,3,4]:
-    #    plotter.plot_der_densities(order=order)
-    plotter.plot_densities()
-    #plotter.plot_densities(timesr2=True)
-    plotter.plot_den_formfact()
+    #from abipy.tools.plotting import MplExpose, PanelExpose
+    e = MplExpose(slide_mode=options.slide_mode, slide_timeout=options.slide_timeout)
+    #e = PanelExpose(title="")
+    with e:
+        e(plotter.plot_radial_wfs(show=False))
+        e(plotter.plot_atanlogder_econv(show=False))
+        e(plotter.plot_projectors(show=False))
+        e(plotter.plot_potentials(show=False))
+        #plotter.plot_der_potentials(show=False)
+        #for order in [1,2,3,4]:
+        #    e(plotter.plot_der_densities(order=order, show=False))
+        e(plotter.plot_densities(show=False))
+        #e(#plotter.plot_densities(timesr2=True, show=False))
+        e(plotter.plot_den_formfact(show=False))
+
     return 0
 
     # Table of methods
-    callables = collections.OrderedDict([
-        ("wp", plotter.plot_waves_and_projs),
-        ("dp", plotter.plot_dens_and_pots),
-        ("lc", plotter.plot_atanlogder_econv),
-        ("df", plotter.plot_den_formfact),
-    ])
+    #callables = collections.OrderedDict([
+    #    ("wp", plotter.plot_waves_and_projs),
+    #    ("dp", plotter.plot_dens_and_pots),
+    #    ("lc", plotter.plot_atanlogder_econv),
+    #    ("df", plotter.plot_den_formfact),
+    #])
 
     # Call function depending on options.plot_mode
-    if options.plot_mode == "slide":
-        for func in callables.values():
-            func()
-    else:
-        func = callables.get(options.plot_mode, None)
-        if func is not None:
-            func()
-        else:
-            plotter.plot_key(key=options.plot_mode)
+    #if options.plot_mode == "slide":
+    #    for func in callables.values():
+    #        func()
+    #else:
+    #    func = callables.get(options.plot_mode, None)
+    #    if func is not None:
+    #        func()
+    #    else:
+    #        plotter.plot_key(key=options.plot_mode)
 
 
 def oncv_json(options):
@@ -187,6 +204,25 @@ def oncv_run(options):
     report = DojoReport.empty_from_pseudo(pseudo, onc_parser.hints, devel=False)
     report.json_write()
 
+    # Build the plotter
+    plotter = onc_parser.make_plotter()
+
+    # Plot data
+    #from abipy.tools.plotting import MplExpose, PanelExpose
+    e = MplExpose() #slide_mode=options.slide_mode, slide_timeout=options.slide_timeout)
+    #e = PanelExpose(title="")
+    with e:
+        e(plotter.plot_radial_wfs(show=False))
+        e(plotter.plot_atanlogder_econv(show=False))
+        e(plotter.plot_projectors(show=False))
+        e(plotter.plot_potentials(show=False))
+        #plotter.plot_der_potentials(show=False)
+        #for order in [1,2,3,4]:
+        #    e(plotter.plot_der_densities(order=order, show=False))
+        e(plotter.plot_densities(show=False))
+        #e(#plotter.plot_densities(timesr2=True, show=False))
+        e(plotter.plot_den_formfact(show=False))
+
     return 0
 
 
@@ -218,6 +254,9 @@ def show_examples_and_exit(err_msg=None, error_code=1):
 
     copts_parser.add_argument('filename', default="", help="Path to the output file")
 
+    # Parent parser for commands supporting MplExpose.
+    plot_parser = argparse.ArgumentParser(add_help=False)
+
     # Build the main parser.
     parser = argparse.ArgumentParser(epilog=str_examples(), formatter_class=argparse.RawDescriptionHelpFormatter)
 
@@ -233,15 +272,37 @@ def show_examples_and_exit(err_msg=None, error_code=1):
 
     # Create the parsers for the sub-commands
     p_plot = subparsers.add_parser('plot', parents=[copts_parser], help=oncv_plot.__doc__)
-    p_plot.add_argument("-p", "--plot-mode", default="slide",
-                        help=("Quantity to plot. Possible values: %s" %
-                              str(["slide", "wp, dp, lc"] + PseudoGenDataPlotter.all_keys) + "\n"
-                              "wp --> wavefunctions and projectors\n" +
-                              "dp --> densities and potentials\n" +
-                              "lc --> atan(logder) and convergence wrt ecut\n" +
-                              "df --> density form factor"))
+    p_plot.add_argument("-s", "--slide-mode", default=False, action="store_true",
+            help="Iterate over figures. Expose all figures at once if not given on the CLI.")
+    p_plot.add_argument("-t", "--slide-timeout", type=int, default=None,
+            help="Close figure after slide-timeout seconds (only if slide-mode). Block if not specified.")
+    p_plot.add_argument('-sns', "--seaborn", const="paper", default=None, action='store', nargs='?', type=str,
+        help='Use seaborn settings. Accept value defining context in ("paper", "notebook", "talk", "poster"). Default: paper')
+    p_plot.add_argument('-mpl', "--mpl-backend", default=None,
+        help=("Set matplotlib interactive backend. "
+              "Possible values: GTKAgg, GTK3Agg, GTK, GTKCairo, GTK3Cairo, WXAgg, WX, TkAgg, Qt4Agg, Qt5Agg, macosx."
+              "See also: https://matplotlib.org/faq/usage_faq.html#what-is-a-backend."))
+
+    #p_plot.add_argument("-p", "--plot-mode", default="slide",
+    #                    help=("Quantity to plot. Possible values: %s" %
+    #                          str(["slide", "wp, dp, lc"] + PseudoGenDataPlotter.all_keys) + "\n"
+    #                          "wp --> wavefunctions and projectors\n" +
+    #                          "dp --> densities and potentials\n" +
+    #                          "lc --> atan(logder) and convergence wrt ecut\n" +
+    #                          "df --> density form factor"))
 
     p_nbplot = subparsers.add_parser('nbplot', parents=[copts_parser], help=oncv_nbplot.__doc__)
+    # notebook options.
+    p_nbplot.add_argument('-nb', '--notebook', action='store_true', default=False, help="Open file in jupyter notebook")
+    p_nbplot.add_argument('--classic-notebook', "-cnb", action='store_true', default=False,
+                        help="Use classic jupyter notebook instead of jupyterlab.")
+    p_nbplot.add_argument('--no-browser', action='store_true', default=False,
+                        help=("Start the jupyter server to serve the notebook "
+                              "but don't open the notebook in the browser.\n"
+                              "Use this option to connect remotely from localhost to the machine running the kernel"))
+    p_nbplot.add_argument('--foreground', action='store_true', default=False,
+                        help="Run jupyter notebook in the foreground.")
+
 
     p_gnuplot = subparsers.add_parser('gnuplot', parents=[copts_parser], help=oncv_gnuplot.__doc__)
 
@@ -265,5 +326,94 @@ def show_examples_and_exit(err_msg=None, error_code=1):
     return globals()["oncv_" + options.command](options)
 
 
+
+# Taken from AbiPy.
+import time
+
+class MplExpose: # pragma: no cover
+    """
+    Context manager used to produce several matplotlib figures and then show
+    all them at the end so that the user does not need to close the window to
+    visualize to the next one.
+
+    Example:
+
+        with MplExpose() as e:
+            e(obj.plot1(show=False))
+            e(obj.plot2(show=False))
+    """
+    def __init__(self, slide_mode=False, slide_timeout=None, verbose=1):
+        """
+        Args:
+            slide_mode: If Rrue, iterate over figures. Default: Expose all figures at once.
+            slide_timeout: Close figure after slide-timeout seconds. Block if None.
+            verbose: verbosity level
+        """
+        self.figures = []
+        self.slide_mode = bool(slide_mode)
+        self.timeout_ms = slide_timeout
+        self.verbose = verbose
+        if self.timeout_ms is not None:
+            self.timeout_ms = int(self.timeout_ms * 1000)
+            assert self.timeout_ms >= 0
+
+        if self.verbose:
+            if self.slide_mode:
+                print("\nSliding matplotlib figures with slide timeout: %s [s]" % slide_timeout)
+            else:
+                print("\nLoading all matplotlib figures before showing them. It may take some time...")
+
+
+        self.start_time = time.time()
+
+    def __call__(self, obj):
+        """
+        Add an object to MplExpose.
+        Support mpl figure, list of figures or generator yielding figures.
+        """
+        import types
+        if isinstance(obj, (types.GeneratorType, list, tuple)):
+            for fig in obj:
+                self.add_fig(fig)
+        else:
+            self.add_fig(obj)
+
+    def add_fig(self, fig):
+        """Add a matplotlib figure."""
+        if fig is None: return
+
+        if not self.slide_mode:
+            self.figures.append(fig)
+        else:
+            #print("Printing and closing", fig)
+            import matplotlib.pyplot as plt
+            if self.timeout_ms is not None:
+                # Creating a timer object
+                # timer calls plt.close after interval milliseconds to close the window.
+                timer = fig.canvas.new_timer(interval=self.timeout_ms)
+                timer.add_callback(plt.close, fig)
+                timer.start()
+
+            plt.show()
+            fig.clear()
+
+    def __enter__(self):
+        return self
+
+    def __exit__(self, exc_type, exc_val, exc_tb):
+        """Activated at the end of the with statement. """
+        if exc_type is not None: return
+        self.expose()
+
+    def expose(self):
+        """Show all figures. Clear figures if needed."""
+        if not self.slide_mode:
+            print("All figures in memory, elapsed time: %.3f s" % (time.time() - self.start_time))
+            import matplotlib.pyplot as plt
+            plt.show()
+            for fig in self.figures:
+                fig.clear()
+
+
 if __name__ == "__main__":
     sys.exit(main())
diff --git a/website/about.html b/website/about.html
index 3bec989d..4760df5e 100644
--- a/website/about.html
+++ b/website/about.html
@@ -37,9 +37,10 @@ <h1 class="logo"><a href="index.html" title="The Pseudo Dojo">The Pseudo Dojo</a
 
 <lu class="generaltext">
 <H1>About PseudoDojo</H1>
-The PseudoDojo.org website gives access to the latest released version of the pseudopotentials of the PseudoDojo project.<BR />
-The PseudoDojo project is hosted on <a href="https://github.com/gmatteo/pseudo_dojo">github</a>. It is a python package to develop, test and store pseudo potentials.<BR />
-Previous versions can be found in the git repository.<BR />
+The PseudoDojo.org website gives access to the latest released version of the pseudopotentials of the PseudoDojo project.<BR>
+The PseudoDojo project is hosted on <a href="https://github.com/gmatteo/pseudo_dojo">github</a>.
+It is a python package to develop, test and store pseudo potentials.<BR>
+Previous versions can be found in the git repository.<BR>
 
 <P> The web interface provides various files:</P>
 <ul>
@@ -51,10 +52,10 @@ <H1>About PseudoDojo</H1>
 <li><b>djrepo</b> : (NC) the test report of the pseudo as a json document.</li>
 </ul>
 
-<P> The current version provided at this web interface are<BR />
- NC version 0.4: ONCVPSP_PDv0.4 in the git repository.<BR />
- NC version 0.3: ONCVPSP_PDv0.3 in the git repository.<BR />
- PAW JTH version 1.0.<BR />
+<P> The current version provided at this web interface are<BR>
+ NC version 0.4: ONCVPSP_PDv0.4 in the git repository.<BR>
+ NC version 0.3: ONCVPSP_PDv0.3 in the git repository.<BR>
+ PAW JTH version 1.0.<BR>
 </P>
 
 <H1>Contributors Pseudo Dojo</H1>
diff --git a/website/faq.html b/website/faq.html
index 7c2a706b..6d7e99a7 100644
--- a/website/faq.html
+++ b/website/faq.html
@@ -56,88 +56,89 @@ <h2>&#9670; What are all these numbers?</h2>
       <div class="r_follow" id="X_gb" title="gbrv fcc bcc average (%):&#013;Relative error in the lattice parameter with respect to reference&#013;all electron results for elemental fcc and bcc structures.">gbrv</div>
 </div>
 The number in the upper right corner of the element boxes (nv) give how many valence shells are includes in this pseudopotential.
-For instance a 4 for Copper means that 1s, 2s, and 2p are frozen in the core but 3s, 3p, 3d, and 4s are treated as valence.<BR />
-<BR />
+For instance a 4 for Copper means that 1s, 2s, and 2p are frozen in the core but 3s, 3p, 3d, and 4s are treated as valence.<BR>
+<BR>
 The numbers in lower left corner (hints) represent the cutoff hints in Hartree.
-  The exact meaning of the hints can be found in the corresponding <a href="https://doi.org/10.1016/j.cpc.2018.01.012">paper</a> suggested below.
-  In general, low is a good starting point for you own convergence studies.
-  Normal should be a safe guess for just a quick calculation or for automated high-throughput calculations.
-  High is for testing convergence.<BR />
-<BR />
-The numbers in the lower right corner are the results of various tests performed on this pseudo potential.<BR />
-  <Table cellpadding="4">
+The exact meaning of the hints can be found in the corresponding <a href="https://doi.org/10.1016/j.cpc.2018.01.012">paper</a> suggested below.
+In general, low is a good starting point for you own convergence studies.
+Normal should be a safe guess for just a quick calculation or for automated high-throughput calculations.
+High is for testing convergence.<BR>
+<BR>
+The numbers in the lower right corner are the results of various tests performed on this pseudo potential.<BR>
+
+<Table cellpadding="4">
  <tr><td valign="top">delta</td><td valign="top">Delta gauge (meV)</td><td valign="top">Measures the agreement of the equation of state for an elemental solid in the ground state with respect to all electron reference calculations. <a target="blank" href='https://dx.doi.org/10.1126/science.aad3000'>full description</a></td></tr>
  <tr><td valign="top">delta1</td><td valign="top">Renormalized Delta gauge</td><td valign="top">Renormalized version of the Delta gauge, especially usefull for very soft materials. <a target="blank" href="https://doi.org/10.1016/j.cpc.2013.12.023">full description</a></td></tr>
  <tr><td valign="top">gbrv</td><td valign="top">Average FCC BCC GBRV test (%)</td><td valign="top">Measures the agreement of the lattice parameter for an elemental FCC and BCC solid with respect to all electron reference calculations. <a target="blank" href="https://doi.org/10.1016/j.commatsci.2013.08.053">full description</a></td></tr>
- </Table>
+</Table>
 
 <h2>&#9670; How do I cite the PseudoDojo?</h2>
-A detailed paper on the PseudoDojo and the NC pseudopotentials has been published in Computer Physics Communications:<BR />
+A detailed paper on the PseudoDojo and the NC pseudopotentials has been published in Computer Physics Communications:<BR>
 
 <table><tr><td width="100" align="center">
 <div data-badge-popover="right" class="altmetric-embed" data-badge-type="donut" data-doi="10.1016/j.cpc.2018.01.012" />
 </td><td>
-    The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table<BR />
-    M. J. van Setten, M. Giantomassi, E. Bousquet, M. J. Verstraete, D. R. Hamann, X. Gonze, G.-M. Rignanese<BR />
-    Computer Physics Communications 226, 39-54 (2018)<BR />
+    The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table<BR>
+    M. J. van Setten, M. Giantomassi, E. Bousquet, M. J. Verstraete, D. R. Hamann, X. Gonze, G.-M. Rignanese<BR>
+    Computer Physics Communications 226, 39-54 (2018)<BR>
 <a href="https://doi.org/10.1016/j.cpc.2018.01.012">10.1016/j.cpc.2018.01.012</a>
 <a href="https://arxiv.org/abs/1710.10138">arxiv preprint</a>
-</td></tr></table><BR />
+</td></tr></table><BR>
 
 An important paper concerning the delta gauge is:
 
 <table><tr><td width="100" align="center">
 <div data-badge-popover="right" class="altmetric-embed" data-badge-type="donut" data-doi="10.1126/science.aad3000" />
 </td><td>
-Reproducibility in density functional theory calculations of solids<BR />
-K. Lejaeghere et. all<BR />
-Science  25 Mar 2016, Vol. 351, Issue 6280<BR />
+Reproducibility in density functional theory calculations of solids<BR>
+K. Lejaeghere et. all<BR>
+Science  25 Mar 2016, Vol. 351, Issue 6280<BR>
 <a href='https://dx.doi.org/10.1126/science.aad3000'>10.1126/science.aad3000</a>
-</td></tr></table><BR />
+</td></tr></table><BR>
 
 The GBRV tests used in the PseudoDojo are introduced in:
 
 <table><tr><td width="100" align="center">
 <div data-badge-popover="right" class="altmetric-embed" data-badge-type="donut" data-doi="10.1016/j.commatsci.2013.08.053" />
 </td><td>
-Pseudopotentials for high-throughput DFT calculations<BR />
-K. F. Garrity, J. W. Bennett, K. M. Rabe, D. Vanderbilt<BR />
-Computational Materials Science 81, 446-452 (2013)<BR />
+Pseudopotentials for high-throughput DFT calculations<BR>
+K. F. Garrity, J. W. Bennett, K. M. Rabe, D. Vanderbilt<BR>
+Computational Materials Science 81, 446-452 (2013)<BR>
 <a href='https://dx.doi.org/10.1016/j.commatsci.2013.08.053'>10.1016/j.commatsci.2013.08.053</a>
-</td></tr></table><BR />
+</td></tr></table><BR>
 
-When using ONCVPSP type pseudopotentials please cite:<BR />
+When using ONCVPSP type pseudopotentials please cite:<BR>
 
 <table><tr><td width="100" align="center">
 <div data-badge-popover="right" class="altmetric-embed" data-badge-type="donut" data-doi="10.1103/PhysRevB.88.085117" />
 </td><td>
-Optimized norm-conserving Vanderbilt pseudopotentials<BR />
-D. R. Hamann<BR />
-Phys. Rev. B 88, 085117 (2013)<BR />
+Optimized norm-conserving Vanderbilt pseudopotentials<BR>
+D. R. Hamann<BR>
+Phys. Rev. B 88, 085117 (2013)<BR>
 <a href='https://doi.org/10.1103/PhysRevB.88.085117'>10.1103/PhysRevB.88.085117</a>
-</td></tr></table><BR />
+</td></tr></table><BR>
 
-When using the PSML format pseudopotentials please cite:<BR />
+When using the PSML format pseudopotentials please cite:<BR>
 
-    <table><tr><td width="100" align="center">
+<table><tr><td width="100" align="center">
 <div data-badge-popover="right" class="altmetric-embed" data-badge-type="donut" data-doi="10.1016/j.cpc.2018.02.011" />
 </td><td>
-The PSML format and library for norm-conserving pseudopotential data curation and interoperability<BR />
-A. García, M. Verstraete, Y. Pouillon, J. Junquera<BR />
-Computer Physics Communications 227, 51-71 (2018)<BR />
+The PSML format and library for norm-conserving pseudopotential data curation and interoperability<BR>
+A. García, M. Verstraete, Y. Pouillon, J. Junquera<BR>
+Computer Physics Communications 227, 51-71 (2018)<BR>
 <a href='https://doi.org/10.1016/j.cpc.2018.02.011'>10.1016/j.cpc.2018.02.011</a>
-</td></tr></table><BR />
+</td></tr></table><BR>
 
-When using the PAW type 'pseudopotentials' please cite:<BR />
+When using the PAW type 'pseudopotentials' please cite:<BR>
 
 <table><tr><td width="100" align="center">
 <div data-badge-popover="right" class="altmetric-embed" data-badge-type="donut" data-doi="10.1016/j.cpc.2013.12.023" />
 </td><td>
-Generation of Projector Augmented-Wave atomic data: A 71 element validated table in the XML format.<BR />
-F. Jollet, M. Torrent, Holzwarth<BR />
-Computer Physics Communications 185, 1246 (2013)<BR />
+Generation of Projector Augmented-Wave atomic data: A 71 element validated table in the XML format.<BR>
+F. Jollet, M. Torrent, Holzwarth<BR>
+Computer Physics Communications 185, 1246 (2013)<BR>
 <a href="https://doi.org/10.1016/j.cpc.2013.12.023">10.1016/j.cpc.2013.12.023</a>
-</td></tr></table><BR />
+</td></tr></table><BR>
 
 <a href="pseudo-dojo.bib">bibtex entries</a>
 
@@ -150,36 +151,34 @@ <h2>&#9670; Can I use the logo in my presentations and grand applications?</h2>
 
 <H1>Concerning the ONCVPSP pseudopotentials</H1>
 
-In general, the pseudo's you find here are ready to use.
-If you have special needs you are also free to use the inputs we provide as a staring point to generate your own
-      pseudopotentials.
-
-
+In general, the pseudos you find here are ready to use.
+If you have special needs you are also free to use the inputs we provide as a staring point
+to generate your own pseudopotentials.
 
 <h2>&#9670; Do you also have the pseudo for my favorite GGA or LDA functional?</h2>
-We provide PBE, PBEsol, and one LDA set of pseudo potentials.<BR />
-The input files can be obtained from the dojo reports in the HTML files.<BR />
-Using these you can generate potentials for most LDA and GGA functionals using <a href="http://www.mat-simresearch.com/">ONCVPSP</a>.<BR />
-We could reuse most of out PBE inputs to generate the PBEsol potentials.<BR />
+We provide PBE, PBEsol, and one LDA set of pseudo potentials.<BR>
+The input files can be obtained from the dojo reports in the HTML files.<BR>
+Using these you can generate potentials for most LDA and GGA functionals using <a href="http://www.mat-simresearch.com/">ONCVPSP</a>.<BR>
+We could reuse most of out PBE inputs to generate the PBEsol potentials.<BR>
 Using <a href="http://octopus-code.org/wiki/Libxc_functionals">LibXC</a>, which is linked to ONCVPSP, almost all functionals can be used.
 
-    <h2>&#9670; All the ONCVPSP potentials are with non-linear core correction, I need some without.</h2>
-We usually observe better convergence with so, indeed, all are generated with nlcc.<BR />
-If you really need one without take the input from the HTML page on the pseudo (select format : html and click the element).<BR />
+<h2>&#9670; All the ONCVPSP potentials are with non-linear core correction, I need some without.</h2>
+We usually observe better convergence with so, indeed, all are generated with nlcc.<BR>
+If you really need one without take the input from the HTML page on the pseudo (select format : html and click the element).<BR>
 Install <a href="http://www.mat-simresearch.com/">ONCVPSP</a>.
 Turn icmod to 0 in the input and generate the pseudopotential.
 
 <h2>&#9670; What about hybrids and meta functionals?</h2>
-These are currently under development.<BR />
+These are currently under development.<BR>
 
 <h2>&#9670; Do you also have the other elements?</h2>
-We are currently working on the Lanthanides.<BR />
+We are currently working on the Lanthanides.<BR>
 
 <h2>&#9670; Is it also possible to get the pseudos in other formats?</h2>
-ONCVPSP currently supports psp8 and upf natively.<BR />
+ONCVPSP currently supports psp8 and upf natively.<BR>
 Using the <a href="https://launchpad.net/pspgenpatch">psml patch</a> we also generated psml files
-      for use with <a href="https://launchpad.net/siesta/psml-support">Siesta</a><BR />
-The psml format is available from version 0.4.<BR />
+for use with <a href="https://launchpad.net/siesta/psml-support">Siesta</a><BR>
+The psml format is available from version 0.4.<BR>
 
 </lu>
 </aside>
@@ -198,4 +197,4 @@ <h2>&#9670; Is it also possible to get the pseudos in other formats?</h2>
 </script>
 
 </body>
-</html>
+</html>
\ No newline at end of file
diff --git a/website/index.html b/website/index.html
index bfb3adfd..630c21d2 100644
--- a/website/index.html
+++ b/website/index.html
@@ -1568,18 +1568,18 @@ <h1 class="logo hide"><a href="https://youtu.be/j9z4AJIx40M" target="_blank" tit
               }, {});
 
   colors = {
-  "bg_hydrogen": "#d16969",
-  "bg_alkali": "#d19292",
-  "bg_alkaline": "#d1bd92",
-  "bg_transition_metal":"#a9c4d4",
-  "bg_post_transition_metal": "#a3b2d6",
-  "bg_metalloid": "#bdd6a3",
-  "bg_nonmetal": "#d6a3be",
-  "bg_halogen": "#d2d6a3",
-  "bg_noble_gas": "#c4cdff",
-  "bg_lanthanoid": "#edb8ff",
-  "bg_actinoid": "#bf96ff",
-  "bg_unknown": "#dcdcdc"
+    "bg_hydrogen": "#d16969",
+    "bg_alkali": "#d19292",
+    "bg_alkaline": "#d1bd92",
+    "bg_transition_metal":"#a9c4d4",
+    "bg_post_transition_metal": "#a3b2d6",
+    "bg_metalloid": "#bdd6a3",
+    "bg_nonmetal": "#d6a3be",
+    "bg_halogen": "#d2d6a3",
+    "bg_noble_gas": "#c4cdff",
+    "bg_lanthanoid": "#edb8ff",
+    "bg_actinoid": "#bf96ff",
+    "bg_unknown": "#dcdcdc"
   };
 
   jQuery(document).ready(function($) {
@@ -1608,7 +1608,7 @@ <h1 class="logo hide"><a href="https://youtu.be/j9z4AJIx40M" target="_blank" tit
           mythis.css("background-color", bgcheck);
           mythis.css("color", "#FFFFFF");
       }
-      else{
+      else {
           bgcheck="#CC4444";
           mythis.css("background-color", bgcheck);
           mythis.css("color", "#FFFFFF");
@@ -1655,7 +1655,6 @@ <h1 class="logo hide"><a href="https://youtu.be/j9z4AJIx40M" target="_blank" tit
           })}
     });
 
-
     $('.download_button').hover(function(){
       var trunk = "pseudos/"
       var typ = $("#TYP").val();
@@ -1669,7 +1668,7 @@ <h1 class="logo hide"><a href="https://youtu.be/j9z4AJIx40M" target="_blank" tit
           mythis.css("background-color", bgcheck);
           mythis.css("color", "#FFFFFF");
       }
-      else{
+      else {
           bgcheck="#CC4444";
           mythis.css("background-color", bgcheck);
           mythis.css("color", "#FFFFFF");
diff --git a/website/js/dojo-tools.js b/website/js/dojo-tools.js
index f26f7c26..1e6b51ba 100644
--- a/website/js/dojo-tools.js
+++ b/website/js/dojo-tools.js
@@ -82,7 +82,7 @@ function set_info(info, animate) {
             if (val === 'na' || val === 'nan'){
                 var xx = 1;
             }
-            else{
+            else {
                 averages[key] += parseFloat(val);
                 sums[key] += 1;
             }
@@ -101,10 +101,10 @@ function set_info(info, animate) {
     summary += "delta\t\t\t\t\t: " + averages[4] + " meV\n"
     summary += "normalized delta\t\t: " + averages[5] + " \n"
     summary += "gbrv\t\t\t\t\t: " + averages[6] + " %\n"
-    if (sums[0] > 0){
-            set_av(averages);
-            reset_X()
-            }
+    if (sums[0] > 0) {
+        set_av(averages);
+        reset_X()
+    }
 }
 
 function loadJSON(file, callback) {
@@ -125,7 +125,6 @@ function store_available_files() {
     var info = JSON.parse(response);
     localStorage.setItem('files', info);
     });
-
 }
 
 function load_set_info(animate) {
@@ -141,7 +140,7 @@ function load_set_info(animate) {
 }
 
 function set_X(elm, color, n){
-    if (els.indexOf(elm)>=0){
+    if (els.indexOf(elm) >= 0){
         document.getElementById('N').innerHTML = n;
         var x = document.getElementById('X_n');
         x.style.backgroundColor = color;
@@ -152,7 +151,7 @@ function set_X(elm, color, n){
             var id_key_in = elm + '_' + keys[key];
             var x = document.getElementById(id_key_in);
             var y = document.getElementById(id_key);
-            var val = x.innerHTML
+            var val = x.innerHTML;
             y.innerHTML = val;
         }
     }
@@ -175,11 +174,11 @@ function set_av(val){
 }
 
 function show_X(){
-    document.getElementById('X_n').style.visibility="visible";
+    document.getElementById('X_n').style.visibility = "visible";
 }
 
 function hide_X(){
-    document.getElementById('X_n').style.visibility="hidden";
+    document.getElementById('X_n').style.visibility = "hidden";
 }
 
 function humanize(size) {
@@ -262,7 +261,7 @@ function dojoTour_guidedtour() {
         },
         {
           element: "#papers",
-          intro:  "A list of papers usging PseudoDojo pseudopotentials. Did you use them? Send us the DOI and we'll add yours as well."
+          intro:  "A list of papers using PseudoDojo pseudopotentials. Did you use them? Send us the DOI and we'll add yours as well."
         },
         {
           element: ".logo",
@@ -284,10 +283,12 @@ function dojoTour_guidedtour() {
 }
 
 function dynamicdropdown(listindex){
+  // Set the values of the XC/Accuracy/Format widgets given the value of Type.
   console.log('dynamic dropdown: setting', listindex)
   document.getElementById("ACC").length = 0;
   document.getElementById("XCF").length = 0;
   document.getElementById("FMT").length = 0;
+
   switch (listindex)
   {
     case "paw" :
@@ -331,7 +332,7 @@ function dynamicdropdown(listindex){
       document.getElementById('warning_box').innerHTML = "";
       document.getElementById("ACC").options[0]=new Option("standard","standard");
       document.getElementById("ACC").options[1]=new Option("stringent","stringent");
-//      document.getElementById("XCF").options[2]=new Option("LDA","pw");
+      //document.getElementById("XCF").options[2]=new Option("LDA","pw");
       document.getElementById("XCF").options[0]=new Option("PBE","pbe");
       document.getElementById("XCF").options[1]=new Option("PBEsol","pbesol");
       document.getElementById("FMT").options[0]=new Option("psp8","psp8");
@@ -356,6 +357,7 @@ function dynamicdropdown(listindex){
       break;
 
     case "core" :
+      // TODO or perhaps add new format and handle file download.
       document.getElementById('warning_box').innerHTML = "";
       document.getElementById("ACC").options[0]=new Option("","standard");
       document.getElementById("ACC").options[0]=new Option("standard","standard");
@@ -379,8 +381,6 @@ function chaos() {
     function animatePlugin(plugin) {
       var xMax = 500;
       var yMax = 500;
-
-
       var x1 = Math.random() - 0.5;
       x1 = x1 * xMax;
       var x2 = Math.random() - 0.5;