diff --git a/examples/mio/skdef.hsd b/examples/mio/skdef.hsd
index b0ce861e..6e03fc0e 100644
--- a/examples/mio/skdef.hsd
+++ b/examples/mio/skdef.hsd
@@ -85,6 +85,12 @@ AtomParameters {
     DftbAtom {
       ShellResolved = No
       DensityCompression = PowerCompression { Power = 2; Radius = 2.5 }
+      # Alternatively: Woods-Saxon compression potential
+      # (see J. Chem. Theory Comput. 12, 1, 53-64 (2016) eqn. 4.)
+      # With default W = 100.0:
+      # DensityCompression = WoodsSaxonCompression { a = 2.0; r0 = 6.0 }
+      # or with manual W:
+      # DensityCompression = WoodsSaxonCompression { W = 300.0; a = 2.0; r0 = 6.0 }
       WaveCompressions = SingleAtomCompressions {
 	S = PowerCompression { Power = 2; Radius = 3.0 }
       }
diff --git a/sktools/src/sktools/calculators/slateratom.py b/sktools/src/sktools/calculators/slateratom.py
index 5659ddb6..4fd25de3 100644
--- a/sktools/src/sktools/calculators/slateratom.py
+++ b/sktools/src/sktools/calculators/slateratom.py
@@ -10,8 +10,9 @@
 import sktools.hsd.converter as conv
 import sktools.common as sc
 from sktools.taggedfile import TaggedFile
-import sktools.compressions
+import sktools.compressions as skcomp
 import sktools.radial_grid as oc
+import sktools.xcfunctionals as xc
 
 
 LOGGER = logging.getLogger('slateratom')
@@ -134,7 +135,7 @@ class SlateratomInput:
     functional : str
         DFT functional type ('lda', 'pbe', 'blyp', 'lcpbe', 'lcbnl')
     compressions : list
-        List of PowerCompression objects. Either empty (no compression applied)
+        List of Compression objects. Either empty (no compression applied)
         or has a compression object for every angular momentum of the atom.
     settings : SlaterAtom
         Further detailed settings of the program.
@@ -193,16 +194,26 @@ def __init__(self, settings, atomconfig, functional, compressions):
         if compressions is None:
             compressions = []
         for comp in compressions:
-            if not isinstance(comp, sktools.compressions.PowerCompression):
-                msg = "Invalid compressiont type {} for slateratom".format(
+            if not isinstance(comp, (skcomp.PowerCompression,
+                                     skcomp.WoodsSaxonCompression)):
+                msg = "Invalid compression type {} for slateratom".format(
                     comp.__class__.__name__)
                 raise sc.SkgenException(msg)
         maxang = atomconfig.maxang
         ncompr = len(compressions)
-        if ncompr and ncompr != maxang + 1:
+        if ncompr > 0 and ncompr != maxang + 1:
             msg = "Invalid number of compressions" \
                 "(expected {:d}, got {:d})".format(maxang + 1, ncompr)
             raise sc.SkgenException(msg)
+
+        # block different compression types of different shells for now
+        if ncompr > 0:
+            compids = [comp.compid for comp in compressions]
+            if not len(set(compids)) == 1:
+                msg = "At the moment, shells may only be compressed by the " \
+                    + "same type of potential."
+                raise sc.SkgenException(msg)
+
         self._compressions = compressions
         myrelativistics = sc.RELATIVISTICS_NONE, sc.RELATIVISTICS_ZORA
         if atomconfig.relativistics not in myrelativistics:
@@ -213,7 +224,7 @@ def __init__(self, settings, atomconfig, functional, compressions):
     def isXCFunctionalSupported(self, functional):
         '''Checks if the given xc-functional is supported by the calculator,
            in particular: checks if AVAILABLE_FUNCTIONALS intersect with
-           sktools.xcfunctionals.XCFUNCTIONALS
+           xc.XCFUNCTIONALS
 
         Args:
             functional: xc-functional, defined in xcfunctionals.py
@@ -224,8 +235,8 @@ def isXCFunctionalSupported(self, functional):
 
         tmp = []
         for xx in SUPPORTED_FUNCTIONALS:
-            if xx in sktools.xcfunctionals.XCFUNCTIONALS:
-                tmp.append(sktools.xcfunctionals.XCFUNCTIONALS[xx])
+            if xx in xc.XCFUNCTIONALS:
+                tmp.append(xc.XCFUNCTIONALS[xx])
 
         return bool(functional.__class__ in tmp)
 
@@ -297,14 +308,42 @@ def write(self, workdir):
 
         # Compressions
         if len(self._compressions) == 0:
-            out += ["{:g} {:d} \t\t{:s} Compr. radius and power ({:s})".format(
-                1e30, 0, self._COMMENT, sc.ANGMOM_TO_SHELL[ll])
+            # no compression for all shells
+            out += ["{:d} \t\t\t{:s} Compression ID".format(
+                skcomp.SUPPORTED_COMPRESSIONS['nocompression'],
+                self._COMMENT) + " ({:s})".format(sc.ANGMOM_TO_SHELL[ll])
                     for ll in range(maxang + 1)]
         else:
-            out += ["{:g} {:g} \t\t{:s} Compr. radius and power ({:s})".format(
-                compr.radius, compr.power, self._COMMENT,
-                sc.ANGMOM_TO_SHELL[ll])
-                    for ll, compr in enumerate(self._compressions)]
+            # define the type of compression for each shell
+            for ll, compr in enumerate(self._compressions):
+                if compr.compid == \
+                   skcomp.SUPPORTED_COMPRESSIONS['powercompression']:
+                    out += ["{:d} \t\t{:s} Compression ID".format(
+                        skcomp.SUPPORTED_COMPRESSIONS['powercompression'],
+                        self._COMMENT) \
+                            + " ({:s})".format(sc.ANGMOM_TO_SHELL[ll])]
+                elif compr.compid == \
+                     skcomp.SUPPORTED_COMPRESSIONS['woodssaxoncompression']:
+                    out += ["{:d} \t\t{:s} Compression ID".format(
+                        skcomp.SUPPORTED_COMPRESSIONS['woodssaxoncompression'],
+                        self._COMMENT) \
+                            + " ({:s})".format(sc.ANGMOM_TO_SHELL[ll])]
+                else:
+                    msg = 'Invalid compression type.'
+                    raise sc.SkgenException(msg)
+            # provide the compression parametrization for each shell
+            for ll, compr in enumerate(self._compressions):
+                if compr.compid == \
+                   skcomp.SUPPORTED_COMPRESSIONS['powercompression']:
+                    out += ["{:g} {:g} \t\t{:s} Compr. radius and power ({:s})"
+                            .format(compr.radius, compr.power, self._COMMENT,
+                                    sc.ANGMOM_TO_SHELL[ll])]
+                elif compr.compid == \
+                     skcomp.SUPPORTED_COMPRESSIONS['woodssaxoncompression']:
+                    out += ["{:g} {:g} {:g} \t\t{:s}".format(
+                        compr.ww, compr.aa, compr.r0, self._COMMENT) \
+                            + " Compr. height, slope, half-height radius ({:s})"
+                            .format(sc.ANGMOM_TO_SHELL[ll])]
 
         out += ["{:d} \t\t\t{:s} nr. of occupied shells ({:s})".format(
             len(occ), self._COMMENT, sc.ANGMOM_TO_SHELL[ll])
@@ -313,9 +352,9 @@ def write(self, workdir):
         # STO powers and exponents
         exponents = self._settings.exponents
         maxpowers = self._settings.maxpowers
-        out += ["{:d} {:d} \t\t\t{:s} nr. of exponents, max. power ({:s})".format(
-            len(exponents[ll]), maxpowers[ll], self._COMMENT,
-            sc.ANGMOM_TO_SHELL[ll])
+        out += ["{:d} {:d} \t\t\t{:s} nr. of exponents, max. power ({:s})"
+                .format(len(exponents[ll]), maxpowers[ll], self._COMMENT,
+                        sc.ANGMOM_TO_SHELL[ll])
                 for ll in range(maxang + 1)]
         out.append("{:s} \t\t{:s} automatic exponent generation".format(
             self._LOGICALSTRS[False], self._COMMENT))
@@ -326,7 +365,7 @@ def write(self, workdir):
 
         out.append("{:s} \t\t{:s} write eigenvectors".format(
             self._LOGICALSTRS[False], self._COMMENT))
-        out.append("{} {:g} \t\t{:s} broyden mixer, mixing factor".format(
+        out.append("{} {:g} \t\t\t{:s} broyden mixer, mixing factor".format(
             2, 0.1, self._COMMENT))
 
         # Occupations
diff --git a/sktools/src/sktools/common.py b/sktools/src/sktools/common.py
index 7c97d78d..15610dae 100644
--- a/sktools/src/sktools/common.py
+++ b/sktools/src/sktools/common.py
@@ -530,7 +530,10 @@ def is_shelf_file_matching(shelf_file, mydict):
         return False
     match = True
     for key in mydict:
-        match = key in db and db[key] == mydict[key]
+        try:
+            match = key in db and db[key] == mydict[key]
+        except KeyError:
+            match = False
         if not match:
             return False
     return True
diff --git a/sktools/src/sktools/compressions.py b/sktools/src/sktools/compressions.py
index 62a1eb05..c2c69b4d 100644
--- a/sktools/src/sktools/compressions.py
+++ b/sktools/src/sktools/compressions.py
@@ -39,6 +39,8 @@ def fromhsd(cls, root, query):
                 node=child)
 
         myself = cls()
+        myself.compid = SUPPORTED_COMPRESSIONS[
+            myself.__class__.__name__.lower()]
         myself.power = power
         myself.radius = radius
 
@@ -62,9 +64,78 @@ def __eq__(self, other):
         return power_ok and radius_ok
 
 
+class WoodsSaxonCompression(sc.ClassDict):
+    '''Compression by the Woods Saxon potential.
+
+    Attributes
+    ----------
+    ww : float
+        Height (W) of the compression
+    aa : float
+        Slope (a) of the compression
+    r0 : float
+        Half-height radius of the compression
+    '''
+
+    @classmethod
+    def fromhsd(cls, root, query):
+        '''Creates instance from a HSD-node and with given query object.'''
+
+        ww, child = query.getvalue(
+            root, 'w', conv.float0, defvalue=100.0, returnchild=True)
+        if ww < 0.0:
+            msg = 'Invalid potential height (W) {:f}'.format(ww)
+            raise hsd.HSDInvalidTagValueException(msg=msg, node=child)
+
+        aa, child = query.getvalue(root, 'a', conv.float0, returnchild=True)
+        if aa <= 0.0:
+            msg = 'Invalid potential slope (a) {:f}'.format(aa)
+            raise hsd.HSDInvalidTagValueException(msg=msg, node=child)
+
+        r0, child = query.getvalue(root, 'r0', conv.float0, returnchild=True)
+        if r0 < 0.0:
+            msg = 'Invalid potential half-height radius {:f}'.format(r0)
+            raise hsd.HSDInvalidTagValueException(msg=msg, node=child)
+
+        myself = cls()
+        myself.compid = SUPPORTED_COMPRESSIONS[
+            myself.__class__.__name__.lower()]
+        myself.ww = ww
+        myself.aa = aa
+        myself.r0 = r0
+
+        return myself
+
+
+    def tohsd(self, root, query, parentname=None):
+        ''''''
+
+        if parentname is None:
+            mynode = root
+        else:
+            mynode = query.setchild(root, 'WoodsSaxonCompression')
+
+        query.setchildvalue(mynode, 'w', conv.float0, self.ww)
+        query.setchildvalue(mynode, 'a', conv.float0, self.aa)
+        query.setchildvalue(mynode, 'r0', conv.float0, self.r0)
+
+
+    def __eq__(self, other):
+        ww_ok = abs(self.ww - other.ww) < 1e-8
+        aa_ok = abs(self.aa - other.aa) < 1e-8
+        r0_ok = abs(self.r0 - other.r0) < 1e-8
+        return ww_ok and aa_ok and r0_ok
+
+
 # Registered compressions with corresponding hsd name as key
 COMPRESSIONS = {
     'powercompression': PowerCompression,
+    'woodssaxoncompression': WoodsSaxonCompression,
+}
+SUPPORTED_COMPRESSIONS = {
+    'nocompression': 0,
+    'powercompression': 1,
+    'woodssaxoncompression': 2,
 }
 
 
diff --git a/slateratom/lib/CMakeLists.txt b/slateratom/lib/CMakeLists.txt
index 78399778..1c47c778 100644
--- a/slateratom/lib/CMakeLists.txt
+++ b/slateratom/lib/CMakeLists.txt
@@ -18,7 +18,6 @@ set(sources-f90
   diagonalizations.f90
   globals.f90
   hamiltonian.f90
-  input.f90
   integration.f90
   lapack.f90
   mixer.f90
@@ -32,6 +31,8 @@ set(sources-f90
 set(sources-fpp
   blasroutines.F90
   broydenmixer.F90
+  confinement.F90
+  input.F90
   lapackroutines.F90
   simplemixer.F90)
 
diff --git a/slateratom/lib/confinement.F90 b/slateratom/lib/confinement.F90
new file mode 100644
index 00000000..7fd523ed
--- /dev/null
+++ b/slateratom/lib/confinement.F90
@@ -0,0 +1,458 @@
+#:include 'common.fypp'
+
+!> Module that builds up various confining potential supervectors.
+module confinement
+
+  use common_accuracy, only : dp
+  use utilities, only : fak
+  use core_overlap, only : v
+  use density, only : basis_times_basis_times_r2
+
+  implicit none
+  private
+
+  public :: TConf, TConfInp, confType
+  public :: TPowerConf, TPowerConf_init
+  public :: TWsConf, TWsConf_init
+
+
+  !> Generic wrapper for confinement potentials.
+  type, abstract :: TConf
+  contains
+
+    procedure, nopass :: getSupervec => TConf_getSupervec
+
+    procedure(getPotOnGrid), deferred :: getPotOnGrid
+
+  end type TConf
+
+
+  abstract interface
+
+    !> Tabulates the (shell-resolved) confinement potential on a given grid.
+    subroutine getPotOnGrid(this, max_l, num_mesh_points, abcissa, vconf)
+      import :: TConf, dp
+      implicit none
+
+      !> instance
+      class(TConf), intent(in) :: this
+
+      !> maximum angular momentum
+      integer, intent(in) :: max_l
+
+      !> number of numerical integration points
+      integer, intent(in) :: num_mesh_points
+
+      !> numerical integration abcissas
+      real(dp), intent(in) :: abcissa(:)
+
+      !> confinement potential on grid
+      real(dp), intent(out) :: vconf(:, 0:)
+
+    end subroutine getPotOnGrid
+
+
+    !> Calculates supervector matrix elements of the confining potential.
+    subroutine getSupervec(this, max_l, num_mesh_points, abcissa, weight, num_alpha, alpha,&
+        & poly_order, vconf, vconf_matrix)
+      import :: TConf, dp
+      implicit none
+
+      !> instance
+      class(TConf), intent(in) :: this
+
+      !> maximum angular momentum
+      integer, intent(in) :: max_l
+
+      !> number of numerical integration points
+      integer, intent(in) :: num_mesh_points
+
+      !> numerical integration abcissas
+      real(dp), intent(in) :: abcissa(:)
+
+      !> numerical integration weights
+      real(dp), intent(in) :: weight(:)
+
+      !> number of exponents in each shell
+      integer, intent(in) :: num_alpha(0:)
+
+      !> basis exponents
+      real(dp), intent(in) :: alpha(0:,:)
+
+      !> highest polynomial order + l in each shell
+      integer, intent(in) :: poly_order(0:)
+
+      !> Woods-Saxon potential on grid
+      real(dp), intent(in) :: vconf(:, 0:)
+
+      !> Woods-Saxon confinement supervector
+      real(dp), intent(out) :: vconf_matrix(0:,:,:)
+
+    end subroutine getSupervec
+
+  end interface
+
+
+  !> Input for the Power confinement.
+  type :: TPowerConfInp
+
+    !> confinement radii (power compression)
+    real(dp) :: r0(0:4)
+
+    !> power of confinement (power compression)
+    real(dp) :: power(0:4)
+
+  end type TPowerConfInp
+
+
+  !> Input for the Woods-Saxon confinement.
+  type :: TWsConfInp
+
+    !> potential heights (W)
+    real(dp) :: ww(0:4)
+
+    !> potential slopes (a)
+    real(dp) :: aa(0:4)
+
+    !> half-height radii (r0)
+    real(dp) :: r0(0:4)
+
+  end type TWsConfInp
+
+
+  !> Input for the Power confinement.
+  type :: TConfInp
+
+    !> Power confinement input structure
+    type(TPowerConfInp), allocatable :: power
+
+    !> Woods-Saxon confinement input structure
+    type(TWsConfInp), allocatable :: ws
+
+  end type TConfInp
+
+
+  !> Power confinement.
+  type, extends(TConf) :: TPowerConf
+    private
+
+    !> confinement radii
+    real(dp) :: r0(0:4)
+
+    !> power of confinement
+    real(dp) :: power(0:4)
+
+  contains
+
+    procedure :: getPotOnGrid => TPowerConf_getPotOnGrid
+
+  end type TPowerConf
+
+
+  !> Woods-Saxon confinement.
+  type, extends(TConf) :: TWsConf
+    private
+
+    !> potential heights (W)
+    real(dp) :: ww(0:4)
+
+    !> potential slopes (a)
+    real(dp) :: aa(0:4)
+
+    !> half-height radii (r0)
+    real(dp) :: r0(0:4)
+
+  contains
+
+    procedure :: getPotOnGrid => TWsConf_getPotOnGrid
+
+  end type TWsConf
+
+
+  !> Enumerator for type of confinement potential.
+  type :: TConfEnum
+
+    !> no compression
+    integer :: none = 0
+
+    !> power compression
+    integer :: power = 1
+
+    !> Woods-Saxon compression
+    integer :: ws = 2
+
+  end type TConfEnum
+
+  !> Container for enumerated types of confinement potentials.
+  type(TConfEnum), parameter :: confType = TConfEnum()
+
+
+contains
+
+  !> Initializes a TPowerConf instance.
+  subroutine TPowerConf_init(this, input)
+
+    !> instance
+    type(TPowerConf), intent(out) :: this
+
+    !> input data
+    type(TPowerConfInp), intent(inout) :: input
+
+    this%r0(0:) = input%r0
+    this%power(0:) = input%power
+
+  end subroutine TPowerConf_init
+
+
+  !> Initializes a TWsConf instance.
+  subroutine TWsConf_init(this, input)
+
+    !> instance
+    type(TWsConf), intent(out) :: this
+
+    !> input data
+    type(TWsConfInp), intent(inout) :: input
+
+    this%ww(0:) = input%ww
+    this%aa(0:) = input%aa
+    this%r0(0:) = input%r0
+
+  end subroutine TWsConf_init
+
+
+  !> Tabulates the (shell-resolved) Power confinement potential on the grid.
+  subroutine TPowerConf_getPotOnGrid(this, max_l, num_mesh_points, abcissa, vconf)
+
+    !> instance
+    class(TPowerConf), intent(in) :: this
+
+    !> maximum angular momentum
+    integer, intent(in) :: max_l
+
+    !> number of numerical integration points
+    integer, intent(in) :: num_mesh_points
+
+    !> numerical integration abcissas
+    real(dp), intent(in) :: abcissa(:)
+
+    !> Woods-Saxon potential on grid
+    real(dp), intent(out) :: vconf(:, 0:)
+
+    !! angular momentum
+    integer :: ll
+
+    @:ASSERT(size(vconf, dim=1) == num_mesh_points)
+    @:ASSERT(size(vconf, dim=2) == max_l + 1)
+
+    do ll = 0, max_l
+      vconf(:, ll) = getPowerPotential(abcissa, this%r0(ll), this%power(ll))
+    end do
+
+  end subroutine TPowerConf_getPotOnGrid
+
+
+  !> Tabulates the (shell-resolved) Woods-Saxon confinement potential on the grid.
+  subroutine TWsConf_getPotOnGrid(this, max_l, num_mesh_points, abcissa, vconf)
+
+    !> instance
+    class(TWsConf), intent(in) :: this
+
+    !> maximum angular momentum
+    integer, intent(in) :: max_l
+
+    !> number of numerical integration points
+    integer, intent(in) :: num_mesh_points
+
+    !> numerical integration abcissas
+    real(dp), intent(in) :: abcissa(:)
+
+    !> Woods-Saxon potential on grid
+    real(dp), intent(out) :: vconf(:, 0:)
+
+    !! angular momentum
+    integer :: ll
+
+    @:ASSERT(size(vconf, dim=1) == num_mesh_points)
+    @:ASSERT(size(vconf, dim=2) == max_l + 1)
+
+    do ll = 0, max_l
+      vconf(:, ll) = getWSPotential(abcissa, this%ww(ll), this%aa(ll), this%r0(ll))
+    end do
+
+  end subroutine TWsConf_getPotOnGrid
+
+
+  !> Constructs the DFT confinement supervector to be added to the Fock matrix, by calculating the
+  !! single matrix elements and putting them together.
+  subroutine TConf_getSupervec(max_l, num_mesh_points, abcissa, weight, num_alpha, alpha,&
+      & poly_order, vconf, vconf_matrix)
+
+    !> maximum angular momentum
+    integer, intent(in) :: max_l
+
+    !> number of numerical integration points
+    integer, intent(in) :: num_mesh_points
+
+    !> numerical integration abcissas
+    real(dp), intent(in) :: abcissa(:)
+
+    !> numerical integration weights
+    real(dp), intent(in) :: weight(:)
+
+    !> number of exponents in each shell
+    integer, intent(in) :: num_alpha(0:)
+
+    !> basis exponents
+    real(dp), intent(in) :: alpha(0:,:)
+
+    !> highest polynomial order + l in each shell
+    integer, intent(in) :: poly_order(0:)
+
+    !> confinement potential on grid
+    real(dp), intent(in) :: vconf(:, 0:)
+
+    !> confinement supervector
+    real(dp), intent(out) :: vconf_matrix(0:,:,:)
+
+    !> single matrix element of the confinement potential
+    real(dp) :: vconf_matrixelement
+
+    !> auxiliary variables
+    integer :: ii, jj, kk, ll, mm, ss, tt, start
+
+    @:ASSERT(size(vconf, dim=1) == num_mesh_points)
+    @:ASSERT(size(vconf, dim=2) == max_l + 1)
+
+    @:ASSERT(size(vconf_matrix, dim=1) == max_l + 1)
+
+    vconf_matrix(:,:,:) = 0.0_dp
+    vconf_matrixelement = 0.0_dp
+
+    do ii = 0, max_l
+      ss = 0
+      do jj = 1, num_alpha(ii)
+        do kk = 1, poly_order(ii)
+          ss = ss + 1
+
+          tt = ss - 1
+          do ll = jj, num_alpha(ii)
+
+            start = 1
+            if (ll == jj) start = kk
+
+            do mm = start, poly_order(ii)
+              tt = tt + 1
+
+              call dft_conf_matrixelement(num_mesh_points, weight, abcissa, vconf(:, ii),&
+                  & alpha(ii, jj), kk, alpha(ii, ll), mm, ii, vconf_matrixelement)
+
+              vconf_matrix(ii, ss, tt) = vconf_matrixelement
+              vconf_matrix(ii, tt, ss) = vconf_matrixelement
+
+            end do
+          end do
+        end do
+      end do
+    end do
+
+  end subroutine TConf_getSupervec
+
+
+  !> Calculates a single matrix element of the confinement potential.
+  pure subroutine dft_conf_matrixelement(num_mesh_points, weight, abcissa, vconf, alpha1, poly1,&
+      & alpha2, poly2, ll, conf_matrixelement)
+
+    !> number of numerical integration points
+    integer, intent(in) :: num_mesh_points
+
+    !> numerical integration weights
+    real(dp), intent(in) :: weight(:)
+
+    !> numerical integration abcissas
+    real(dp), intent(in) :: abcissa(:)
+
+    !> confinement potential on grid
+    real(dp), intent(in) :: vconf(:)
+
+    !> basis exponent of 1st basis
+    real(dp), intent(in) :: alpha1
+
+    !> highest polynomial order in 1st basis shell
+    integer, intent(in) :: poly1
+
+    !> basis exponent of 2nd basis
+    real(dp), intent(in) :: alpha2
+
+    !> highest polynomial order in 2nd basis shell
+    integer, intent(in) :: poly2
+
+    !> angular momentum
+    integer, intent(in) :: ll
+
+    !> single matrix element of the confinement potential
+    real(dp), intent(out) :: conf_matrixelement
+
+    !> stores product of two basis functions and r^2
+    real(dp) :: basis
+
+    !> auxiliary variable
+    integer :: ii
+
+    conf_matrixelement = 0.0_dp
+
+    do ii = 1, num_mesh_points
+      basis = basis_times_basis_times_r2(alpha1, poly1, alpha2, poly2, ll, abcissa(ii))
+      conf_matrixelement = conf_matrixelement + weight(ii) * vconf(ii) * basis
+    end do
+
+  end subroutine dft_conf_matrixelement
+
+
+  !> Returns the Power potential for a given radial distance.
+  elemental impure function getPowerPotential(rr, r0, power) result(pot)
+
+    !> radial distance
+    real(dp), intent(in) :: rr
+
+    !> confinement radius
+    real(dp), intent(in) :: r0
+
+    !> confinement power
+    real(dp), intent(in) :: power
+
+    !> Power potential at evaluation point
+    real(dp) :: pot
+
+    @:ASSERT(rr >= 0.0_dp)
+
+    pot = (rr / r0)**power
+
+  end function getPowerPotential
+
+
+  !> Returns the Woods-Saxon potential for a given radial distance.
+  !! see J. Chem. Theory Comput. 12, 1, 53-64 (2016) eqn. 4.
+  elemental impure function getWSPotential(rr, ww, aa, r0) result(pot)
+
+    !> radial distance
+    real(dp), intent(in) :: rr
+
+    !> potential height (W)
+    real(dp), intent(in) :: ww
+
+    !> potential slope (a)
+    real(dp), intent(in) :: aa
+
+    !> half-height radius (r0)
+    real(dp), intent(in) :: r0
+
+    !> Woods-Saxon potential at evaluation point
+    real(dp) :: pot
+
+    @:ASSERT(rr >= 0.0_dp)
+
+    pot = ww / (1.0 + exp(-aa * (rr - r0)))
+
+  end function getWSPotential
+
+end module confinement
diff --git a/slateratom/lib/core_overlap.f90 b/slateratom/lib/core_overlap.f90
index 258386c6..91e9d523 100644
--- a/slateratom/lib/core_overlap.f90
+++ b/slateratom/lib/core_overlap.f90
@@ -7,7 +7,7 @@ module core_overlap
   implicit none
   private
 
-  public :: overlap, kinetic, nuclear, moments, v, confinement
+  public :: overlap, kinetic, nuclear, moments, v
 
 
   interface v
@@ -192,65 +192,6 @@ pure subroutine kinetic(tt, max_l, num_alpha, alpha, poly_order)
   end subroutine kinetic
 
 
-  !> Calculates analytic matrix elements of confining potential.
-  !! No checking for power, e.g. power==0 or power<0 etc. !
-  pure subroutine confinement(vconf, max_l, num_alpha, alpha, poly_order, conf_r0, conf_power)
-
-    !> confinement supervector
-    real(dp), intent(out) :: vconf(0:,:,:)
-
-    !> maximum angular momentum
-    integer, intent(in) :: max_l
-
-    !> number of exponents in each shell
-    integer, intent(in) :: num_alpha(0:)
-
-    !> basis exponents
-    real(dp), intent(in) :: alpha(0:,:)
-
-     !> highest polynomial order + l in each shell
-    integer, intent(in) :: poly_order(0:)
-
-    !> confinement radii
-    real(dp), intent(in) :: conf_r0(0:)
-
-    !> power of confinement
-    real(dp), intent(in) :: conf_power(0:)
-
-    !> temporary storage
-    real(dp) :: alpha1
-
-    !> auxiliary variables
-    integer :: ii, jj, kk, ll, mm, nn, oo, nlp, nlq
-
-    vconf(:,:,:) = 0.0_dp
-
-    do ii = 0, max_l
-      if (conf_power(ii) > 1.0e-06_dp) then
-        nn = 0
-        do jj = 1, num_alpha(ii)
-          do ll = 1, poly_order(ii)
-            nn = nn + 1
-            oo = 0
-            nlp = ll + ii
-            do kk = 1, num_alpha(ii)
-              alpha1 = 0.5_dp * (alpha(ii, jj) + alpha(ii, kk))
-              do mm = 1, poly_order(ii)
-                oo = oo + 1
-                nlq = mm + ii
-                vconf(ii, nn, oo) = 1.0_dp / sqrt(v(alpha(ii, jj), 2 * nlp)&
-                    & * v(alpha(ii, kk), 2 * nlq)) / (conf_r0(ii) * 2.0_dp)**conf_power(ii)&
-                    & * v(alpha1, nlp + nlq + conf_power(ii))
-              end do
-            end do
-          end do
-        end do
-      end if
-    end do
-
-  end subroutine confinement
-
-
   !> Calculates arbitrary moments of electron distribution, e.g. expectation values of <r>, <r^2>
   !! etc.; this is implemented analytically for arbitrary powers.
   pure subroutine moments(moment, max_l, num_alpha, alpha, poly_order, cof, power)
diff --git a/slateratom/lib/globals.f90 b/slateratom/lib/globals.f90
index 6687874d..92e50a35 100644
--- a/slateratom/lib/globals.f90
+++ b/slateratom/lib/globals.f90
@@ -5,14 +5,16 @@ module globals
   use mixer, only : TMixer, TMixer_init, TMixer_reset, mixerTypes
   use broydenmixer, only : TBroydenMixer, TBroydenMixer_init
   use simplemixer, only : TSimpleMixer, TSimpleMixer_init
+  use confinement, only : TConfInp
 
   implicit none
 
-  !> confinement radii
-  real(dp) :: conf_r0(0:4)
 
-  !> power of confinement
-  real(dp) :: conf_power(0:4)
+  !> type of confinement potential
+  integer :: conf_type = 0
+
+  !> confinement potential input
+  type(TConfInp) :: confInp
 
   !> basis exponents
   real(dp) :: alpha(0:4, 10)
@@ -65,8 +67,11 @@ module globals
   !> kinetic supervector
   real(dp), allocatable :: tt(:,:,:)
 
+  !> confinement potential on grid
+  real(dp), allocatable :: vconf(:,:)
+
   !> confinement supervector
-  real(dp), allocatable :: vconf(:,:,:)
+  real(dp), allocatable :: vconf_matrix(:,:,:)
 
   !> coulomb supermatrix
   real(dp), allocatable :: jj(:,:,:,:,:,:)
@@ -218,7 +223,8 @@ subroutine allocate_globals()
 
     allocate(uu(0:max_l, problemsize, problemsize))
     allocate(tt(0:max_l, problemsize, problemsize))
-    allocate(vconf(0:max_l, problemsize, problemsize))
+    allocate(vconf(num_mesh_points, 0:max_l))
+    allocate(vconf_matrix(0:max_l, problemsize, problemsize))
     allocate(ff(2, 0:max_l, problemsize, problemsize))
     allocate(pot_old(2, 0:max_l, problemsize, problemsize))
     allocate(pot_new(2, 0:max_l, problemsize, problemsize))
diff --git a/slateratom/lib/input.f90 b/slateratom/lib/input.F90
similarity index 84%
rename from slateratom/lib/input.f90
rename to slateratom/lib/input.F90
index 51104403..c3f01454 100644
--- a/slateratom/lib/input.f90
+++ b/slateratom/lib/input.F90
@@ -1,9 +1,12 @@
+#:include 'common.fypp'
+
 !> Module that reads input values from stdin.
 module input
 
   use common_accuracy, only : dp
   use common_poisson, only : TBeckeGridParams
 
+  use confinement, only : TConfInp, confType
   use xcfunctionals, only : xcFunctional
 
   implicit none
@@ -16,7 +19,7 @@ module input
 
   !> Reads in all properties, except for occupation numbers.
   subroutine read_input_1(nuc, max_l, occ_shells, maxiter, scftol, poly_order, min_alpha,&
-      & max_alpha, num_alpha, tAutoAlphas, alpha, conf_r0, conf_power, num_occ, num_power,&
+      & max_alpha, num_alpha, tAutoAlphas, alpha, conf_type, confInp, num_occ, num_power,&
       & num_alphas, xcnr, tPrintEigvecs, tZora, mixnr, mixing_factor, xalpha_const, omega,&
       & camAlpha, camBeta, grid_params)
 
@@ -53,11 +56,11 @@ subroutine read_input_1(nuc, max_l, occ_shells, maxiter, scftol, poly_order, min
     !> basis exponents
     real(dp), intent(out) :: alpha(0:4, 10)
 
-    !> confinement radii
-    real(dp), intent(out) :: conf_r0(0:4)
+    !> type of confinement potential
+    integer, intent(out) :: conf_type
 
-    !> power of confinement
-    real(dp), intent(out) :: conf_power(0:4)
+    !> confinement potential input
+    type(TConfInp), intent(out) :: confInp
 
     !> maximal occupied shell
     integer, intent(out) :: num_occ
@@ -98,6 +101,9 @@ subroutine read_input_1(nuc, max_l, occ_shells, maxiter, scftol, poly_order, min
     !> holds parameters, defining a Becke integration grid
     type(TBeckeGridParams), intent(out) :: grid_params
 
+    !! confinement type of last query
+    integer :: last_conf_type
+
     !! auxiliary variables
     integer :: ii, jj
 
@@ -153,12 +159,43 @@ subroutine read_input_1(nuc, max_l, occ_shells, maxiter, scftol, poly_order, min
       stop
     end if
 
-    write(*, '(A)') 'Enter Confinement: r_0 and integer power, power=0.0 -> off'
+    last_conf_type = 0
     do ii = 0, max_l
-      write(*, '(A,I3)') 'l=', ii
-      read(*,*) conf_r0(ii), conf_power(ii)
+      write(*, '(A,I3)') 'Enter confinement ID (0: none, 1: power, 2: WS) for l=', ii
+      read(*,*) conf_type
+      if (ii > 0) then
+        if (conf_type /= last_conf_type) then
+          error stop 'At the moment different shells are supposed to be compressed with the same&
+              & type of potential'
+        end if
+      end if
+      last_conf_type = conf_type
     end do
 
+    select case (conf_type)
+    case(confType%none)
+      continue
+    case(confType%power)
+      allocate(confInp%power)
+      write(*, '(A)') 'Enter parameters r_0 and power'
+      do ii = 0, max_l
+        write(*, '(A,I3)') 'l=', ii
+        read(*,*) confInp%power%r0(ii), confInp%power%power(ii)
+      end do
+    case(confType%ws)
+      allocate(confInp%ws)
+      write(*, '(A)') 'Enter parameters compr. height, slope and half-height radius'
+      do ii = 0, max_l
+        write(*, '(A,I3)') 'l=', ii
+        read(*,*) confInp%ws%ww(ii), confInp%ws%aa(ii), confInp%ws%r0(ii)
+        @:ASSERT(confInp%ws%ww(ii) >= 0.0)
+        @:ASSERT(confInp%ws%aa(ii) > 0.0)
+        @:ASSERT(confInp%ws%r0(ii) >= 0.0)
+      end do
+    case default
+      error stop 'Invalid confinement potential.'
+    end select
+
     write(*, '(A)') 'Enter number of occupied shells for each angular momentum.'
     do ii = 0, max_l
       write(*, '(A,I3)') 'l=', ii
@@ -188,7 +225,8 @@ subroutine read_input_1(nuc, max_l, occ_shells, maxiter, scftol, poly_order, min
       end do
     else
       do ii = 0, max_l
-        write(*, '(A,I3,A,I3,A)') 'Enter ', num_alpha(ii), 'exponents for l=', ii, ', one per line.'
+        write(*, '(A,I3,A,I3,A)') 'Enter ', num_alpha(ii),&
+            & ' exponents for l=', ii, ', one per line.'
         do jj = 1, num_alpha(ii)
           read(*,*) alpha(ii, jj)
         end do
@@ -265,7 +303,7 @@ end subroutine read_input_2
 
   !> Echos gathered input to stdout.
   subroutine echo_input(nuc, max_l, occ_shells, maxiter, scftol, poly_order, num_alpha, alpha,&
-      & conf_r0, conf_power, occ, num_occ, num_power, num_alphas, xcnr, tZora, num_mesh_points,&
+      & conf_type, confInp, occ, num_occ, num_power, num_alphas, xcnr, tZora, num_mesh_points,&
       & xalpha_const)
 
     !> nuclear charge, i.e. atomic number
@@ -292,11 +330,11 @@ subroutine echo_input(nuc, max_l, occ_shells, maxiter, scftol, poly_order, num_a
     !> basis exponents
     real(dp), intent(in) :: alpha(0:,:)
 
-    !> confinement radii
-    real(dp), intent(in) :: conf_r0(0:)
+    !> type of confinement potential
+    integer, intent(in) :: conf_type
 
-    !> power of confinement
-    real(dp), intent(in) :: conf_power(0:)
+    !> confinement potential input
+    type(TConfInp), intent(in) :: confInp
 
     !> occupation numbers
     real(dp), intent(in) :: occ(:,0:,:)
@@ -391,12 +429,16 @@ subroutine echo_input(nuc, max_l, occ_shells, maxiter, scftol, poly_order, num_a
 
     write(*, '(A)') ' '
     do ii = 0, max_l
-      if (conf_power(ii) > 1.0e-06_dp) then
-        write(*, '(A,I3,A,E15.7,A,E15.7)') 'l= ', ii, ', r0= ', conf_r0(ii), ' power= ',&
-            & conf_power(ii)
-      else
-        write(*, '(A,I3,A)') 'l= ', ii, ' no confinement '
-      end if
+      select case (conf_type)
+      case(confType%none)
+        write(*, '(A,I3,A)') 'l= ', ii, ' no confinement'
+      case(confType%power)
+        write(*, '(A,I3,A,E15.7,A,E15.7)') 'l= ', ii, ', r0= ', confInp%power%r0(ii),&
+            & ' power= ', confInp%power%power(ii)
+      case(confType%ws)
+        write(*, '(A,I3,A,E15.7,A,E15.7,A,E15.7)') 'l= ', ii, ', W= ', confInp%ws%ww(ii),&
+            & ' a= ', confInp%ws%aa(ii), ' r0= ', confInp%ws%r0(ii)
+      end select
     end do
 
     write(*, '(A)') ' '
diff --git a/slateratom/prog/CMakeLists.txt b/slateratom/prog/CMakeLists.txt
index 5693fe3d..945ddd4a 100644
--- a/slateratom/prog/CMakeLists.txt
+++ b/slateratom/prog/CMakeLists.txt
@@ -1,9 +1,21 @@
+set(projectdir ${PROJECT_SOURCE_DIR})
+
+#
+# General options for all targets
+#
+set(fypp_flags ${FYPP_BUILD_FLAGS} ${FYPP_CONFIG_FLAGS})
+list(APPEND fypp_flags -I${projectdir}/common/include -DRELEASE="'${RELEASE}'")
+
 set(sources-f90
-  cmdargs.f90
-  main.f90)
+  cmdargs.f90)
+
+set(sources-fpp
+  main.F90)
 
-add_executable(slateratom ${sources-f90})
+skprogs_preprocess("${FYPP}" "${fypp_flags}" "F90" "f90" "${sources-fpp}" sources-f90-preproc)
+
+add_executable(slateratom ${sources-f90} ${sources-f90-preproc})
 
 target_link_libraries(slateratom skprogs-slateratom)
-  
+
 install(TARGETS slateratom EXPORT skprogs-targets DESTINATION ${CMAKE_INSTALL_BINDIR})
diff --git a/slateratom/prog/main.f90 b/slateratom/prog/main.F90
similarity index 78%
rename from slateratom/prog/main.f90
rename to slateratom/prog/main.F90
index a4143149..9ac24388 100644
--- a/slateratom/prog/main.f90
+++ b/slateratom/prog/main.F90
@@ -1,10 +1,13 @@
+#:include 'common.fypp'
+
 program HFAtom
 
   use common_accuracy, only : dp
   use common_message, only : error
   use integration, only : gauss_chebyshev_becke_mesh
   use input, only : read_input_1, read_input_2, echo_input
-  use core_overlap, only : overlap, nuclear, kinetic, confinement
+  use core_overlap, only : overlap, nuclear, kinetic
+  use confinement, only : TConf, confType, TPowerConf, TPowerConf_init, TWsConf, TWsConf_init
   use coulomb_hfex, only : coulomb, hfex, hfex_lr
   use densitymatrix, only : densmatrix
   use hamiltonian, only : build_hamiltonian
@@ -49,12 +52,15 @@ program HFAtom
   !! holds parameters, defining a Becke integration grid
   type(TBeckeGridParams) :: grid_params
 
+  !! general confinement potential
+  class(TConf), allocatable :: conf
+
   ! deactivate average potential calculation for now
   isAvgPotNeeded = .false.
 
   call parse_command_arguments()
   call read_input_1(nuc, max_l, occ_shells, maxiter, scftol, poly_order, min_alpha, max_alpha,&
-      & num_alpha, tAutoAlphas, alpha, conf_r0, conf_power, num_occ, num_power, num_alphas, xcnr,&
+      & num_alpha, tAutoAlphas, alpha, conf_type, confInp, num_occ, num_power, num_alphas, xcnr,&
       & tPrintEigvecs, tZora, mixnr, mixing_factor, xalpha_const, omega, camAlpha, camBeta,&
       & grid_params)
 
@@ -73,8 +79,8 @@ program HFAtom
   if (nuc > 36) num_mesh_points = 1250
   if (nuc > 54) num_mesh_points = 1500
 
-  call echo_input(nuc, max_l, occ_shells, maxiter, scftol, poly_order, num_alpha, alpha, conf_r0,&
-      & conf_power, occ, num_occ, num_power, num_alphas, xcnr, tZora, num_mesh_points, xalpha_const)
+  call echo_input(nuc, max_l, occ_shells, maxiter, scftol, poly_order, num_alpha, alpha, conf_type,&
+      & confInp, occ, num_occ, num_power, num_alphas, xcnr, tZora, num_mesh_points, xalpha_const)
 
   ! allocate global stuff and zero out
   call allocate_globals()
@@ -90,7 +96,21 @@ program HFAtom
   call overlap(ss, max_l, num_alpha, alpha, poly_order)
   call nuclear(uu, max_l, num_alpha, alpha, poly_order)
   call kinetic(tt, max_l, num_alpha, alpha, poly_order)
-  call confinement(vconf, max_l, num_alpha, alpha, poly_order, conf_r0, conf_power)
+
+  select case (conf_type)
+  case(confType%power)
+    @:CREATE_CLASS(conf, TPowerConf, TPowerConf_init, confInp%power)
+  case(confType%ws)
+    @:CREATE_CLASS(conf, TWsConf, TWsConf_init, confInp%ws)
+  end select
+
+  if (allocated(conf)) then
+    call conf%getPotOnGrid(max_l, num_mesh_points, abcissa, vconf)
+    call conf%getSupervec(max_l, num_mesh_points, abcissa, weight, num_alpha, alpha, poly_order,&
+        & vconf, vconf_matrix)
+  else
+    vconf_matrix(0:,:,:) = 0.0_dp
+  end if
 
   ! test for linear dependency
   call diagonalize_overlap(max_l, num_alpha, poly_order, ss)
@@ -125,7 +145,7 @@ program HFAtom
   pot_old(:,:,:,:) = 0.0_dp
 
   ! kinetic energy, nuclear-electron, and confinement matrix elements which are constant during SCF
-  call build_hamiltonian(pMixer, 0, tt, uu, nuc, vconf, jj, kk, kk_lr, pp, max_l, num_alpha,&
+  call build_hamiltonian(pMixer, 0, tt, uu, nuc, vconf_matrix, jj, kk, kk_lr, pp, max_l, num_alpha,&
       & poly_order, problemsize, xcnr, num_mesh_points, weight, abcissa, vxc, alpha, pot_old,&
       & pot_new, tZora, ff, camAlpha, camBeta)
 
@@ -149,19 +169,20 @@ program HFAtom
         & dz, xcnr, omega, camAlpha, camBeta, rho, drho, ddrho, vxc, exc, xalpha_const)
 
     ! build Fock matrix and get total energy during SCF
-    call build_hamiltonian(pMixer, iScf, tt, uu, nuc, vconf, jj, kk, kk_lr, pp, max_l, num_alpha,&
-        & poly_order, problemsize, xcnr, num_mesh_points, weight, abcissa, vxc, alpha, pot_old,&
-        & pot_new, tZora, ff, camAlpha, camBeta)
+    call build_hamiltonian(pMixer, iScf, tt, uu, nuc, vconf_matrix, jj, kk, kk_lr, pp, max_l,&
+        & num_alpha, poly_order, problemsize, xcnr, num_mesh_points, weight, abcissa, vxc, alpha,&
+        & pot_old, pot_new, tZora, ff, camAlpha, camBeta)
 
     if (tZora) then
-      call getTotalEnergyZora(tt, uu, nuc, vconf, jj, kk, kk_lr, pp, max_l, num_alpha, poly_order,&
-          & problemsize, xcnr, num_mesh_points, weight, abcissa, rho, exc, vxc, eigval_scaled, occ,&
-          & camAlpha, camBeta, kinetic_energy, nuclear_energy, coulomb_energy, exchange_energy,&
-          & x_en_2, conf_energy, total_ene)
+      call getTotalEnergyZora(tt, uu, nuc, vconf_matrix, jj, kk, kk_lr, pp, max_l, num_alpha,&
+          & poly_order, problemsize, xcnr, num_mesh_points, weight, abcissa, rho, exc, vxc,&
+          & eigval_scaled, occ, camAlpha, camBeta, kinetic_energy, nuclear_energy, coulomb_energy,&
+          & exchange_energy, x_en_2, conf_energy, total_ene)
     else
-      call getTotalEnergy(tt, uu, nuc, vconf, jj, kk, kk_lr, pp, max_l, num_alpha, poly_order,&
-          & xcnr, num_mesh_points, weight, abcissa, rho, exc, camAlpha, camBeta, kinetic_energy,&
-          & nuclear_energy, coulomb_energy, exchange_energy, x_en_2, conf_energy, total_ene)
+      call getTotalEnergy(tt, uu, nuc, vconf_matrix, jj, kk, kk_lr, pp, max_l, num_alpha,&
+          & poly_order, xcnr, num_mesh_points, weight, abcissa, rho, exc, camAlpha, camBeta,&
+          & kinetic_energy, nuclear_energy, coulomb_energy, exchange_energy, x_en_2, conf_energy,&
+          & total_ene)
     end if
 
     call check_convergence(pot_old, pot_new, max_l, problemsize, scftol, iScf, change_max,&
@@ -206,10 +227,10 @@ program HFAtom
   end if
 
   if (tZora) then
-    call getTotalEnergyZora(tt, uu, nuc, vconf, jj, kk, kk_lr, pp, max_l, num_alpha, poly_order,&
-        & problemsize, xcnr, num_mesh_points, weight, abcissa, rho, exc, vxc, eigval_scaled, occ,&
-        & camAlpha, camBeta, zora_ekin, nuclear_energy, coulomb_energy, exchange_energy, x_en_2,&
-        & conf_energy, total_ene)
+    call getTotalEnergyZora(tt, uu, nuc, vconf_matrix, jj, kk, kk_lr, pp, max_l, num_alpha,&
+        & poly_order, problemsize, xcnr, num_mesh_points, weight, abcissa, rho, exc, vxc,&
+        & eigval_scaled, occ, camAlpha, camBeta, zora_ekin, nuclear_energy, coulomb_energy,&
+        & exchange_energy, x_en_2, conf_energy, total_ene)
   end if
 
   write(*, '(A,E20.12)') 'Potential Matrix Elements converged to ', change_max
diff --git a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/config b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/config
index bfa360b6..03fd460a 100644
--- a/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/config
+++ b/test/prog/sktable/CAMY-B3LYP/Non-Relativistic/config
@@ -1 +1 @@
-C,N C,N
\ No newline at end of file
+C,N C,N
diff --git a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/config b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/config
index 57bc8b62..897a44bc 100644
--- a/test/prog/sktable/CAMY-PBEh/Non-Relativistic/config
+++ b/test/prog/sktable/CAMY-PBEh/Non-Relativistic/config
@@ -1 +1 @@
-O,N O,N
\ No newline at end of file
+O,N O,N
diff --git a/test/prog/sktable/GGA-PBE96/Non-Relativistic/config b/test/prog/sktable/GGA-PBE96/Non-Relativistic/config
index e5eac9cd..fe945713 100644
--- a/test/prog/sktable/GGA-PBE96/Non-Relativistic/config
+++ b/test/prog/sktable/GGA-PBE96/Non-Relativistic/config
@@ -1 +1 @@
-N,O N,O
\ No newline at end of file
+N,O N,O
diff --git a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/config b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/config
index bfa360b6..03fd460a 100644
--- a/test/prog/sktable/HYB-B3LYP/Non-Relativistic/config
+++ b/test/prog/sktable/HYB-B3LYP/Non-Relativistic/config
@@ -1 +1 @@
-C,N C,N
\ No newline at end of file
+C,N C,N
diff --git a/test/prog/sktable/HYB-PBE0/Non-Relativistic/config b/test/prog/sktable/HYB-PBE0/Non-Relativistic/config
index bfa360b6..03fd460a 100644
--- a/test/prog/sktable/HYB-PBE0/Non-Relativistic/config
+++ b/test/prog/sktable/HYB-PBE0/Non-Relativistic/config
@@ -1 +1 @@
-C,N C,N
\ No newline at end of file
+C,N C,N
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/_C-C.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-C.skf
similarity index 100%
rename from test/prog/sktable/LDA-PW91/Non-Relativistic/_C-C.skf
rename to test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-C.skf
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/_C-O.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-O.skf
similarity index 100%
rename from test/prog/sktable/LDA-PW91/Non-Relativistic/_C-O.skf
rename to test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_C-O.skf
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/_O-C.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-C.skf
similarity index 100%
rename from test/prog/sktable/LDA-PW91/Non-Relativistic/_O-C.skf
rename to test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-C.skf
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/_O-O.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-O.skf
similarity index 100%
rename from test/prog/sktable/LDA-PW91/Non-Relativistic/_O-O.skf
rename to test/prog/sktable/LDA-PW91/Non-Relativistic/Power/_O-O.skf
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/config b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/config
new file mode 100644
index 00000000..d380badc
--- /dev/null
+++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/config
@@ -0,0 +1 @@
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diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/skdef.hsd b/test/prog/sktable/LDA-PW91/Non-Relativistic/Power/skdef.hsd
similarity index 100%
rename from test/prog/sktable/LDA-PW91/Non-Relativistic/skdef.hsd
rename to test/prog/sktable/LDA-PW91/Non-Relativistic/Power/skdef.hsd
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/_C-C.skf b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/_C-C.skf
new file mode 100644
index 00000000..6b60e8cd
--- /dev/null
+++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/_C-C.skf
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+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -1.132613912126E-01  -1.163263943646E+00   0.000000000000E+00   4.302030512984E-02  -6.654306944109E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   2.863608463640E-01   7.281416436623E-01   0.000000000000E+00  -2.859235589456E-01   7.285733263414E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -7.428738709134E-02  -1.137796914454E+00   0.000000000000E+00   6.984963435550E-02  -6.596539424110E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   2.620871180001E-01   7.173337227586E-01   0.000000000000E+00  -2.940947688739E-01   7.216328397808E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -3.681913294126E-02  -1.112625544847E+00   0.000000000000E+00   9.599235365450E-02  -6.548032465922E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   2.380077635382E-01   7.064661960417E-01   0.000000000000E+00  -3.021216039532E-01   7.147474128151E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -8.493469272953E-04  -1.087763822859E+00   0.000000000000E+00   1.214074722414E-01  -6.507642545890E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   2.141504302464E-01   6.955478614191E-01   0.000000000000E+00  -3.099916985090E-01   7.079131866784E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   3.363316728233E-02  -1.063224287081E+00   0.000000000000E+00   1.460601492153E-01  -6.474309247389E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   1.905416455727E-01   6.845873367190E-01   0.000000000000E+00  -3.176932753679E-01   7.011262173972E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   6.664312816847E-02  -1.039018103420E+00   0.000000000000E+00   1.699212554858E-01  -6.447051945662E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   1.672068097348E-01   6.735930548359E-01   0.000000000000E+00  -3.252151550938E-01   6.943825145756E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   9.819840617581E-02  -1.015155140164E+00   0.000000000000E+00   1.929669503337E-01  -6.424966338368E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   1.441701902785E-01   6.625732593598E-01   0.000000000000E+00  -3.325467624471E-01   6.876780762349E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   1.283196758107E-01  -9.916440411512E-01   0.000000000000E+00   2.151782740909E-01  -6.407220876626E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   1.214549184798E-01   6.515360006571E-01   0.000000000000E+00  -3.396781303658E-01   6.810089200070E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   1.570300899489E-01  -9.684922968449E-01   0.000000000000E+00   2.365407580943E-01  -6.393053143369E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   9.908298748523E-02   6.404891323766E-01   0.000000000000E+00  -3.465999017406E-01   6.743711109690E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   1.843549760981E-01  -9.457063131805E-01   0.000000000000E+00   2.570440527715E-01  -6.381766218752E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   7.707525210303E-02   6.294403083537E-01   0.000000000000E+00  -3.533033292340E-01   6.677607863830E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   2.103215541896E-01  -9.232914780520E-01   0.000000000000E+00   2.766815744410E-01  -6.372725066125E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   5.545143017344E-02   6.183969798905E-01   0.000000000000E+00  -3.597802733660E-01   6.611741775903E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   2.349586753171E-01  -9.012522253536E-01   0.000000000000E+00   2.954501711562E-01  -6.365352966526E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   3.423010545896E-02   6.073663933909E-01   0.000000000000E+00  -3.660231990690E-01   6.546076292918E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   2.582965806941E-01  -8.795920965074E-01   0.000000000000E+00   3.133498076952E-01  -6.359128024740E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   1.342873200677E-02   5.963555883316E-01   0.000000000000E+00  -3.720251708888E-01   6.480576164255E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   2.803666799779E-01  -8.583137994394E-01   0.000000000000E+00   3.303832695908E-01  -6.353579765553E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -6.936360055855E-03   5.853713955533E-01   0.000000000000E+00  -3.777798469921E-01   6.415207588408E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   3.012013479961E-01  -8.374192649818E-01   0.000000000000E+00   3.465558859085E-01  -6.348285834957E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -2.684995732541E-02   5.744204358554E-01   0.000000000000E+00  -3.832814721179E-01   6.349938339491E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   3.208337388333E-01  -8.169097007063E-01   0.000000000000E+00   3.618752703227E-01  -6.342868817604E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -4.629795455255E-02   5.635091188830E-01   0.000000000000E+00  -3.885248695958E-01   6.284737875179E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   3.392976161719E-01  -7.967856422082E-01   0.000000000000E+00   3.763510799036E-01  -6.336993178767E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -6.526734472286E-02   5.526436422931E-01   0.000000000000E+00  -3.935054325365E-01   6.219577427610E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   3.566271987543E-01  -7.770470018782E-01   0.000000000000E+00   3.899947909200E-01  -6.330362336431E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -8.374620780993E-02   5.418299911891E-01   0.000000000000E+00  -3.982191142866E-01   6.154430078642E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   3.728570198272E-01  -7.576931152134E-01   0.000000000000E+00   4.028194908779E-01  -6.322715866867E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -1.017236982220E-01   5.310739378152E-01   0.000000000000E+00  -4.026624182258E-01   6.089270820754E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   3.880217994516E-01  -7.387227847312E-01   0.000000000000E+00   4.148396859594E-01  -6.313826845098E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -1.191900309643E-01   5.203810415005E-01   0.000000000000E+00  -4.068323869760E-01   6.024076604755E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   4.021563286043E-01  -7.201343215593E-01   0.000000000000E+00   4.260711229924E-01  -6.303499320091E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -1.361364665392E-01   5.097566488469E-01   0.000000000000E+00  -4.107265910792E-01   5.958826375365E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   4.152953640604E-01  -7.019255847814E-01   0.000000000000E+00   4.365306250702E-01  -6.291565923171E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -1.525552946120E-01   4.992058941510E-01   0.000000000000E+00  -4.143431171952E-01   5.893501095672E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   4.274735331198E-01  -6.840940186252E-01   0.000000000000E+00   4.462359399491E-01  -6.277885607157E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -1.684398164677E-01   4.887337000562E-01   0.000000000000E+00  -4.176805558613E-01   5.828083761339E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   4.387252473247E-01  -6.666366875815E-01   0.000000000000E+00   4.552056003733E-01  -6.262341512891E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -1.837843262935E-01   4.783447784258E-01   0.000000000000E+00  -4.207379888527E-01   5.762559405403E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   4.490846244013E-01  -6.495503095445E-01   0.000000000000E+00   4.634587955139E-01  -6.244838959280E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -1.985840913198E-01   4.680436314328E-01   0.000000000000E+00  -4.235149761748E-01   5.696915094414E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   4.585854177437E-01  -6.328312870641E-01   0.000000000000E+00   4.710152527495E-01  -6.225303552540E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -2.128353308613E-01   4.578345528602E-01   0.000000000000E+00  -4.260115427168E-01   5.631139916629E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   4.672609528388E-01  -6.164757367998E-01   0.000000000000E+00   4.778951290669E-01  -6.203679410077E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -2.265351942999E-01   4.477216296049E-01   0.000000000000E+00  -4.282281645922E-01   5.565224962892E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   4.751440701048E-01  -6.004795172627E-01   0.000000000000E+00   4.841189114093E-01  -6.179927494290E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -2.396817380574E-01   4.377087433806E-01   0.000000000000E+00  -4.301657551907E-01   5.499163300810E-01
+   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   4.822670736819E-01  -5.848382549295E-01   0.000000000000E+00   4.897073253495E-01  -6.154024051534E-01   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00   0.000000000000E+00  -2.522739016091E-01   4.277995726138E-01   0.000000000000E+00  -4.318256509620E-01   5.432949942779E-01
+
+
+Spline
+12 0.0553585
+112.9353346817185 2.801373701455403 -0.1119994835253462
+0.035 0.0375    0.204206 -35.71077211012958 2016.504000000031 24177.93762071238
+0.0375 0.04    0.12791 -25.17491577974109 2197.838532155373 -120889.6881035729
+0.04 0.0425    0.07682029999999999 -16.45240477090621 1291.165871378576 -57585.58520643491
+0.0425 0.045    0.0428593 -11.07630513663398 859.2739823303137 16659.22892930921
+0.045 0.04533    0.0207993 -6.467574682557872 984.2181993001326 -2167173.572075024
+0.04533 0.045334    0.0186943 -6.526006277016704 -1161.283637054166 353213222.4907721
+0.045334 0.046259    0.0186682 -6.518342311433599 3077.275032831984 -1324559.571220061
+0.046259 0.047184    0.0142234 -4.225362350069925 -598.3777773036936 561811.1110751317
+0.047184 0.0493131    0.0102476 -3.890262342340788 960.6480559297889 -100763.5210502349
+0.0493131 0.0503195    0.00534702 -1.169934109375229 317.0412179256228 -143026.9144497911
+0.0503195 0.0513259    0.00434492 -0.9663840979460291 -114.7856421811885 10348.58893883691
+0.0513259 0.0553585    0.00326664 -1.165980214261954 -83.5411824570522 -5782.515169399558 27636944.82683195 -3877959552.095367
+
+This SPLINE is just a DUMMY-SPLINE!!!!!!!!!!!!!!!
+
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/config b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/config
new file mode 100644
index 00000000..3aab270d
--- /dev/null
+++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/config
@@ -0,0 +1 @@
+C C
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/skdef.hsd b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/skdef.hsd
new file mode 100644
index 00000000..7505e52e
--- /dev/null
+++ b/test/prog/sktable/LDA-PW91/Non-Relativistic/WS/skdef.hsd
@@ -0,0 +1,74 @@
+SkdefVersion = 1
+
+Globals {
+  Superposition = density
+  XCFunctional = lda {}
+}
+
+AtomParameters {
+
+  C {
+    AtomConfig {
+      AtomicNumber = 6
+      Mass = 12.01
+      Occupations {
+	1S = 1.0 1.0
+	2S = 1.0 1.0
+	2P = 2.0 0.0
+      }
+      ValenceShells = 2s 2p
+      Relativistics = None
+    }
+    DftbAtom {
+      ShellResolved = No
+      DensityCompression = WoodsSaxonCompression { W = 10.0; a = 2.0; r0 = 7.0 }
+      WaveCompressions = SingleAtomCompressions {
+	S = WoodsSaxonCompression { W = 10.0; a = 2.0; r0 = 2.7 }
+	P = WoodsSaxonCompression { W = 10.0; a = 2.0; r0 = 2.7 }
+      }
+    }
+  }
+
+}
+
+
+OnecenterParameters {
+
+  $StandardDeltaFilling {
+    DeltaFilling = 0.01
+  }
+
+  C {
+    $StandardDeltaFilling
+    Calculator = SlaterAtom {
+    MaxScfIterations = 120
+    ScfTolerance = 1.0e-10
+      Exponents {
+	S = 0.5 1.14 2.62 6.0
+	P = 0.5 1.14 2.62 6.0
+      }
+      MaxPowers {
+	S = 3
+	P = 3
+      }
+    }
+  }
+
+}
+
+TwoCenterParameters {
+
+  $EqGrid = EquidistantGrid {
+      GridStart = 0.6
+      GridSeparation = 0.02
+      Tolerance = 5e-5
+      MaxDistance = -1.4
+  }
+
+  $SkTwocnt_300_150 = Sktwocnt {
+    IntegrationPoints = 300 150
+  }
+
+  C-C { Grid = $EqGrid; Calculator = $SkTwocnt_300_150 }
+
+}
diff --git a/test/prog/sktable/LDA-PW91/Non-Relativistic/config b/test/prog/sktable/LDA-PW91/Non-Relativistic/config
deleted file mode 100644
index 2b6041a2..00000000
--- a/test/prog/sktable/LDA-PW91/Non-Relativistic/config
+++ /dev/null
@@ -1 +0,0 @@
-C,O C,O
\ No newline at end of file
diff --git a/test/prog/sktable/tests b/test/prog/sktable/tests
index 4ef363ba..af0e0790 100644
--- a/test/prog/sktable/tests
+++ b/test/prog/sktable/tests
@@ -3,7 +3,8 @@
 
 #:include 'common.fypp'
 
-LDA-PW91/Non-Relativistic
+LDA-PW91/Non-Relativistic/Power
+LDA-PW91/Non-Relativistic/WS
 GGA-PBE96/Non-Relativistic
 HYB-PBE0/Non-Relativistic
 HYB-B3LYP/Non-Relativistic