----------------------------------------------------------------------
ePolyScat Version E2
----------------------------------------------------------------------

Authors: R. R. Lucchese, N. Sanna, A. P. P. Natalense, and F. A. Gianturco
http://www.chem.tamu.edu/rgroup/lucchese/ePolyScat.E2.manual/manual.html
Please cite the following two papers when reporting results obtained with  this program
F. A. Gianturco, R. R. Lucchese, and N. Sanna, J. Chem. Phys. 100, 6464 (1994).
A. P. P. Natalense and R. R. Lucchese, J. Chem. Phys. 111, 5344 (1999).

----------------------------------------------------------------------

Starting at 2009-03-13  12:15:12.398 (GMT -0500)
Using    16 processors

----------------------------------------------------------------------


+ Start of Input Records
#
# input file for test33
#
# positron scattering from C2H2 in Sigma-g symmetry
#
  LMax   15     # maximum l to be used for wave functions
  LMaxK 6

  EMax  50.0    # EMax, maximum asymptotic energy in eV
  EngForm 0 0   # no charge on the molecule and all orbitals are doubly occupied
  VCorr    'POS-FIT'    # Polarization potential
  PosFitL  25
  PosFile  '/scratch/rrl581a/ePolyScat.E2/tests/test33.dat'
  PosGridTol 1.E-06
  PosPlot
     2
     0.0 0.0
    90.0 0.0

  EngForm  0 0

  Convert '/scratch/rrl581a/ePolyScat.E2/tests/test33.g03' 'g03'
  GetBlms
  ExpOrb
  GetPot

  ScatContSym 'SG'  # Scattering symmetry
  ScatPos 0.1 0.5 1.0
  TotalCrossSection
+ End of input reached
+ Data Record LMax - 15
+ Data Record LMaxK - 6
+ Data Record EMax - 50.0
+ Data Record EngForm - 0 0
+ Data Record VCorr - 'POS-FIT'
+ Data Record PosFitL - 25
+ Data Record PosFile - '/scratch/rrl581a/ePolyScat.E2/tests/test33.dat'
+ Data Record PosGridTol - 1.E-06
+ Data Record PosPlot
+ 2 / 0.0 0.0 / 90.0 0.0
+ Data Record EngForm - 0 0

+ Command Convert
+ '/scratch/rrl581a/ePolyScat.E2/tests/test33.g03' 'g03'

----------------------------------------------------------------------
g03cnv - read input from G03 output
----------------------------------------------------------------------

Expansion center is (in Angstroms) -
     0.0000000000   0.0000000000   0.0000000000
CardFlag =    T
Normal Mode flag =    F
Selecting orbitals
from     1  to     7  number already selected     0
Number of orbitals selected is     7
Highest orbital read in is =    7
Time Now =         0.0569  Delta time =         0.0569 End g03cnv

Atoms found    4  Coordinates in Angstroms
Z =  1 ZS =  1 r =   0.0000000000   0.0000000000   1.6580180000
Z =  6 ZS =  6 r =   0.0000000000   0.0000000000   0.6019920000
Z =  6 ZS =  6 r =   0.0000000000   0.0000000000  -0.6019920000
Z =  1 ZS =  1 r =   0.0000000000   0.0000000000  -1.6580180000
Maximum distance from expansion center is    1.6580180000

+ Command GetBlms
+

----------------------------------------------------------------------
GetPGroup - determine point group from geometry
----------------------------------------------------------------------

Found point group  DAh
Reduce angular grid using nthd =  2  nphid =  4
Found point group for abelian subgroup D2h
Time Now =         0.0648  Delta time =         0.0079 End GetPGroup
List of unique axes
  N  Vector                      Z   R
  1  0.00000  0.00000  1.00000   1  3.13320   6  1.13760   6  1.13760   1  3.13320
List of corresponding x axes
  N  Vector
  1  1.00000 -0.00000 -0.00000
Computed default value of LMaxA =   13
Determineing angular grid in GetAxMax  LMax =   15  LMaxA =   13  LMaxAb =   30
MMax =    3  MMaxAbFlag =    2
For axis     1  mvals:
   0   1   2   3   4   5   6   7   8   9  10  11  12  13   3   3
On the double L grid used for products
For axis     1  mvals:
   0   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16  17  18  19
  20  21  22  23  24  25  26  16  16   6   6

----------------------------------------------------------------------
SymGen - generate symmetry adapted functions
----------------------------------------------------------------------

Point group is DAh
LMax = =   15
 The dimension of each irreducable representation is
    SG    (  1)    A2G   (  1)    B1G   (  1)    B2G   (  1)    PG    (  2)
    DG    (  2)    FG    (  2)    GG    (  2)    SU    (  1)    A2U   (  1)
    B1U   (  1)    B2U   (  1)    PU    (  2)    DU    (  2)    FU    (  2)
    GU    (  2)
 Number of symmetry operations in the abelian subgroup (excluding E) =    7
 The operations are -
    12    22    32     2     3    21    31
  Rep  Component  Sym Num  Num Found  Eigenvalues of abelian sub-group
 SG        1         1         10       1  1  1  1  1  1  1
 A2G       1         2          2       1 -1 -1  1  1 -1 -1
 B1G       1         3          4      -1  1 -1  1 -1  1 -1
 B2G       1         4          4      -1 -1  1  1 -1 -1  1
 PG        1         5         10      -1 -1  1  1 -1 -1  1
 PG        2         6         10      -1  1 -1  1 -1  1 -1
 DG        1         7         11       1 -1 -1  1  1 -1 -1
 DG        2         8         11       1  1  1  1  1  1  1
 FG        1         9          9      -1 -1  1  1 -1 -1  1
 FG        2        10          9      -1  1 -1  1 -1  1 -1
 GG        1        11          9       1 -1 -1  1  1 -1 -1
 GG        2        12          9       1  1  1  1  1  1  1
 SU        1        13         10       1 -1 -1 -1 -1  1  1
 A2U       1        14          2       1  1  1 -1 -1 -1 -1
 B1U       1        15          5      -1 -1  1 -1  1  1 -1
 B2U       1        16          5      -1  1 -1 -1  1 -1  1
 PU        1        17         13      -1 -1  1 -1  1  1 -1
 PU        2        18         13      -1  1 -1 -1  1 -1  1
 DU        1        19         11       1 -1 -1 -1 -1  1  1
 DU        2        20         11       1  1  1 -1 -1 -1 -1
 FU        1        21         12      -1 -1  1 -1  1  1 -1
 FU        2        22         12      -1  1 -1 -1  1 -1  1
 GU        1        23          9       1 -1 -1 -1 -1  1  1
 GU        2        24          9       1  1  1 -1 -1 -1 -1
Time Now =         0.8902  Delta time =         0.8254 End SymGen
Number of partial waves for each l in the full symmetry up to LMaxA
SG    1    0(   1)    1(   1)    2(   2)    3(   2)    4(   3)    5(   3)    6(   4)    7(   4)    8(   5)    9(   5)
          10(   7)   11(   7)   12(   9)   13(   9)
A2G   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   0)    6(   0)    7(   0)    8(   0)    9(   0)
          10(   1)   11(   1)   12(   2)   13(   2)
B1G   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   0)    6(   1)    7(   1)    8(   2)    9(   2)
          10(   3)   11(   3)   12(   4)   13(   4)
B2G   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   0)    6(   1)    7(   1)    8(   2)    9(   2)
          10(   3)   11(   3)   12(   4)   13(   4)
PG    1    0(   0)    1(   0)    2(   1)    3(   1)    4(   2)    5(   2)    6(   3)    7(   3)    8(   4)    9(   4)
          10(   6)   11(   6)   12(   9)   13(   9)
PG    2    0(   0)    1(   0)    2(   1)    3(   1)    4(   2)    5(   2)    6(   3)    7(   3)    8(   4)    9(   4)
          10(   6)   11(   6)   12(   9)   13(   9)
DG    1    0(   0)    1(   0)    2(   1)    3(   1)    4(   2)    5(   2)    6(   3)    7(   3)    8(   5)    9(   5)
          10(   7)   11(   7)   12(  10)   13(  10)
DG    2    0(   0)    1(   0)    2(   1)    3(   1)    4(   2)    5(   2)    6(   3)    7(   3)    8(   5)    9(   5)
          10(   7)   11(   7)   12(  10)   13(  10)
FG    1    0(   0)    1(   0)    2(   0)    3(   0)    4(   1)    5(   1)    6(   2)    7(   2)    8(   4)    9(   4)
          10(   6)   11(   6)   12(   8)   13(   8)
FG    2    0(   0)    1(   0)    2(   0)    3(   0)    4(   1)    5(   1)    6(   2)    7(   2)    8(   4)    9(   4)
          10(   6)   11(   6)   12(   8)   13(   8)
GG    1    0(   0)    1(   0)    2(   0)    3(   0)    4(   1)    5(   1)    6(   3)    7(   3)    8(   5)    9(   5)
          10(   7)   11(   7)   12(   9)   13(   9)
GG    2    0(   0)    1(   0)    2(   0)    3(   0)    4(   1)    5(   1)    6(   3)    7(   3)    8(   5)    9(   5)
          10(   7)   11(   7)   12(   9)   13(   9)
SU    1    0(   0)    1(   1)    2(   1)    3(   2)    4(   2)    5(   3)    6(   3)    7(   4)    8(   4)    9(   5)
          10(   5)   11(   7)   12(   7)   13(   9)
A2U   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   0)    6(   0)    7(   0)    8(   0)    9(   0)
          10(   0)   11(   1)   12(   1)   13(   2)
B1U   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   1)    6(   1)    7(   2)    8(   2)    9(   3)
          10(   3)   11(   4)   12(   4)   13(   5)
B2U   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   1)    6(   1)    7(   2)    8(   2)    9(   3)
          10(   3)   11(   4)   12(   4)   13(   5)
PU    1    0(   0)    1(   1)    2(   1)    3(   2)    4(   2)    5(   3)    6(   3)    7(   4)    8(   4)    9(   6)
          10(   6)   11(   9)   12(   9)   13(  12)
PU    2    0(   0)    1(   1)    2(   1)    3(   2)    4(   2)    5(   3)    6(   3)    7(   4)    8(   4)    9(   6)
          10(   6)   11(   9)   12(   9)   13(  12)
DU    1    0(   0)    1(   0)    2(   0)    3(   1)    4(   1)    5(   2)    6(   2)    7(   3)    8(   3)    9(   5)
          10(   5)   11(   7)   12(   7)   13(  10)
DU    2    0(   0)    1(   0)    2(   0)    3(   1)    4(   1)    5(   2)    6(   2)    7(   3)    8(   3)    9(   5)
          10(   5)   11(   7)   12(   7)   13(  10)
FU    1    0(   0)    1(   0)    2(   0)    3(   1)    4(   1)    5(   2)    6(   2)    7(   4)    8(   4)    9(   6)
          10(   6)   11(   8)   12(   8)   13(  11)
FU    2    0(   0)    1(   0)    2(   0)    3(   1)    4(   1)    5(   2)    6(   2)    7(   4)    8(   4)    9(   6)
          10(   6)   11(   8)   12(   8)   13(  11)
GU    1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   1)    6(   1)    7(   3)    8(   3)    9(   5)
          10(   5)   11(   7)   12(   7)   13(   9)
GU    2    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   1)    6(   1)    7(   3)    8(   3)    9(   5)
          10(   5)   11(   7)   12(   7)   13(   9)

----------------------------------------------------------------------
SymGen - generate symmetry adapted functions
----------------------------------------------------------------------

Point group is D2h
LMax = =   30
 The dimension of each irreducable representation is
    AG    (  1)    B1G   (  1)    B2G   (  1)    B3G   (  1)    AU    (  1)
    B1U   (  1)    B2U   (  1)    B3U   (  1)
Abelian axes
    1       1.000000      -0.000000      -0.000000
    2       0.000000       1.000000      -0.000000
    3       0.000000       0.000000       1.000000
Symmetry operation directions
  1       0.000000       0.000000       1.000000 ang =  0  1 type = 0 axis = 3
  2       0.000000       0.000000       1.000000 ang =  1  2 type = 2 axis = 3
  3       1.000000      -0.000000      -0.000000 ang =  1  2 type = 2 axis = 1
  4       0.000000       1.000000       0.000000 ang =  1  2 type = 2 axis = 2
  5       0.000000       0.000000       1.000000 ang =  1  2 type = 3 axis = 3
  6       0.000000       0.000000       1.000000 ang =  0  1 type = 1 axis = 3
  7       1.000000       0.000000       0.000000 ang =  0  1 type = 1 axis = 1
  8       0.000000       1.000000       0.000000 ang =  0  1 type = 1 axis = 2
irep =    1  sym =AG    1  eigs =   1   1   1   1   1   1   1   1
irep =    2  sym =B1G   1  eigs =   1   1  -1  -1   1   1  -1  -1
irep =    3  sym =B2G   1  eigs =   1  -1  -1   1   1  -1  -1   1
irep =    4  sym =B3G   1  eigs =   1  -1   1  -1   1  -1   1  -1
irep =    5  sym =AU    1  eigs =   1   1   1   1  -1  -1  -1  -1
irep =    6  sym =B1U   1  eigs =   1   1  -1  -1  -1  -1   1   1
irep =    7  sym =B2U   1  eigs =   1  -1  -1   1  -1   1   1  -1
irep =    8  sym =B3U   1  eigs =   1  -1   1  -1  -1   1  -1   1
 Number of symmetry operations in the abelian subgroup (excluding E) =    7
 The operations are -
     2     3     4     5     6     7     8
  Rep  Component  Sym Num  Num Found  Eigenvalues of abelian sub-group
 AG        1         1        118       1  1  1  1  1  1  1
 B1G       1         2        102       1 -1 -1  1  1 -1 -1
 B2G       1         3        102      -1 -1  1  1 -1 -1  1
 B3G       1         4        102      -1  1 -1  1 -1  1 -1
 AU        1         5         89       1  1  1 -1 -1 -1 -1
 B1U       1         6        104       1 -1 -1 -1 -1  1  1
 B2U       1         7        102      -1 -1  1 -1  1  1 -1
 B3U       1         8        102      -1  1 -1 -1  1 -1  1
Time Now =         0.9111  Delta time =         0.0210 End SymGen

+ Command ExpOrb
+
In GetRMax, RMaxEps =  0.10000000E-05  RMax =   13.4207560879 Angs

----------------------------------------------------------------------
GenGrid - Generate Radial Grid
----------------------------------------------------------------------

Maximum R in the grid (RMax) =    13.42076 Angs
Factors to determine step sizes in the various regions:
In regions controlled by Gaussians (HFacGauss) =   10.0
In regions controlled by the wave length (HFacWave) =   10.0
Factor used to control the minimum exponent at each center (MinExpFac) =  300.0
Maximum asymptotic kinetic energy (EMAx) =  50.00000 eV
Maximum step size (MaxStep) =  13.42076 Angs
Factor to increase grid by (GridFac) =     1

    1  Center at =     0.00000 Angs  Alpha Max = 0.10000E+01
    2  Center at =     0.60199 Angs  Alpha Max = 0.10800E+05
    3  Center at =     1.65802 Angs  Alpha Max = 0.30000E+03

Generated Grid

  irg  nin  ntot      step Angs     R end Angs
    1    8     8    0.21060E-02     0.01685
    2    8    16    0.29202E-02     0.04021
    3    8    24    0.46817E-02     0.07766
    4    8    32    0.62681E-02     0.12781
    5    8    40    0.73149E-02     0.18633
    6    8    48    0.74746E-02     0.24612
    7    8    56    0.68975E-02     0.30130
    8    8    64    0.66636E-02     0.35461
    9    8    72    0.73544E-02     0.41345
   10    8    80    0.85746E-02     0.48204
   11    8    88    0.54630E-02     0.52575
   12    8    96    0.34725E-02     0.55353
   13    8   104    0.22073E-02     0.57119
   14    8   112    0.14030E-02     0.58241
   15    8   120    0.89181E-03     0.58955
   16    8   128    0.62530E-03     0.59455
   17    8   136    0.52916E-03     0.59878
   18    8   144    0.40135E-03     0.60199
   19    8   152    0.50920E-03     0.60607
   20    8   160    0.54286E-03     0.61041
   21    8   168    0.66917E-03     0.61576
   22    8   176    0.10153E-02     0.62388
   23    8   184    0.16142E-02     0.63680
   24    8   192    0.25663E-02     0.65733
   25    8   200    0.40801E-02     0.68997
   26    8   208    0.64868E-02     0.74186
   27    8   216    0.10313E-01     0.82437
   28    8   224    0.16397E-01     0.95554
   29    8   232    0.19817E-01     1.11408
   30    8   240    0.23105E-01     1.29892
   31    8   248    0.16355E-01     1.42976
   32    8   256    0.10396E-01     1.51293
   33    8   264    0.66081E-02     1.56579
   34    8   272    0.42998E-02     1.60019
   35    8   280    0.33714E-02     1.62716
   36    8   288    0.30678E-02     1.65171
   37    8   296    0.78907E-03     1.65802
   38    8   304    0.30552E-02     1.68246
   39    8   312    0.32571E-02     1.70852
   40    8   320    0.40150E-02     1.74064
   41    8   328    0.60918E-02     1.78937
   42    8   336    0.96851E-02     1.86685
   43    8   344    0.15398E-01     1.99003
   44    8   352    0.24481E-01     2.18588
   45    8   360    0.38921E-01     2.49725
   46    8   368    0.50907E-01     2.90451
   47    8   376    0.55261E-01     3.34659
   48    8   384    0.58728E-01     3.81642
   49    8   392    0.61574E-01     4.30901
   50    8   400    0.63953E-01     4.82063
   51    8   408    0.65966E-01     5.34836
   52    8   416    0.67687E-01     5.88986
   53    8   424    0.69171E-01     6.44323
   54    8   432    0.70461E-01     7.00692
   55    8   440    0.71590E-01     7.57964
   56    8   448    0.72585E-01     8.16032
   57    8   456    0.73466E-01     8.74805
   58    8   464    0.74252E-01     9.34207
   59    8   472    0.74956E-01     9.94171
   60    8   480    0.75590E-01    10.54643
   61    8   488    0.76163E-01    11.15573
   62    8   496    0.76683E-01    11.76920
   63    8   504    0.77157E-01    12.38646
   64    8   512    0.77591E-01    13.00718
   65    8   520    0.51696E-01    13.42076
Time Now =         1.0766  Delta time =         0.1654 End GenGrid

----------------------------------------------------------------------
AngGCt - generate angular functions
----------------------------------------------------------------------

Maximum scattering l (lmax) =   15
Maximum scattering m (mmaxs) =   15
Maximum numerical integration l (lmaxi) =   30
Maximum numerical integration m (mmaxi) =   30
Maximum l to include in the asymptotic region (lmasym) =   13
Parameter used to determine the cutoff points (PCutRd) =  0.10000000E-07 au
Maximum E used to determine grid (in eV) =       50.00000
Print flag (iprnfg) =    0
lmasymtyts =   12
 Actual value of lmasym found =     13
Number of regions of the same l expansion (NAngReg) =    9
Angular regions
    1 L =    2  from (    1)         0.00211  to (    7)         0.01474
    2 L =    4  from (    8)         0.01685  to (   15)         0.03729
    3 L =    6  from (   16)         0.04021  to (   23)         0.07298
    4 L =    7  from (   24)         0.07766  to (   31)         0.12154
    5 L =    9  from (   32)         0.12781  to (   39)         0.17901
    6 L =   11  from (   40)         0.18633  to (   47)         0.23865
    7 L =   13  from (   48)         0.24612  to (   55)         0.29441
    8 L =   15  from (   56)         0.30130  to (  368)         2.90451
    9 L =   13  from (  369)         2.95977  to (  520)        13.42076
Angular regions for computing spherical harmonics
    1 lval =   13
    2 lval =   15
Last grid points by processor WorkExp =     1.500
Proc id =   -1  Last grid point =       1
Proc id =    0  Last grid point =      64
Proc id =    1  Last grid point =      96
Proc id =    2  Last grid point =     128
Proc id =    3  Last grid point =     152
Proc id =    4  Last grid point =     184
Proc id =    5  Last grid point =     208
Proc id =    6  Last grid point =     240
Proc id =    7  Last grid point =     264
Proc id =    8  Last grid point =     296
Proc id =    9  Last grid point =     320
Proc id =   10  Last grid point =     352
Proc id =   11  Last grid point =     384
Proc id =   12  Last grid point =     416
Proc id =   13  Last grid point =     456
Proc id =   14  Last grid point =     488
Proc id =   15  Last grid point =     520
Time Now =         1.0938  Delta time =         0.0172 End AngGCt

----------------------------------------------------------------------
RotOrb - Determine rotation of degenerate orbitals
----------------------------------------------------------------------


 R of maximum density
     1  SG    1 at max irg =   19  r =   0.60607
     2  SU    1 at max irg =   19  r =   0.60607
     3  SG    1 at max irg =   20  r =   0.61041
     4  SU    1 at max irg =   30  r =   1.29892
     5  SG    1 at max irg =   32  r =   1.51293
     6  PU    1 at max irg =   27  r =   0.82437
     7  PU    2 at max irg =   27  r =   0.82437

Rotation coefficients for orbital     1  grp =    1 SG    1
     1  1.0000000000

Rotation coefficients for orbital     2  grp =    2 SU    1
     2  1.0000000000

Rotation coefficients for orbital     3  grp =    3 SG    1
     3  1.0000000000

Rotation coefficients for orbital     4  grp =    4 SU    1
     4  1.0000000000

Rotation coefficients for orbital     5  grp =    5 SG    1
     5  1.0000000000

Rotation coefficients for orbital     6  grp =    6 PU    1
     6 -0.0000000000    7  1.0000000000

Rotation coefficients for orbital     7  grp =    6 PU    2
     6  1.0000000000    7  0.0000000000
Number of orbital groups and degeneracis are         6
  1  1  1  1  1  2
Number of orbital groups and number of electrons when fully occupied
         6
  2  2  2  2  2  4
Time Now =         1.3271  Delta time =         0.2333 End RotOrb

----------------------------------------------------------------------
ExpOrb - Single Center Expansion Program
----------------------------------------------------------------------

 First orbital group to expand (mofr) =    1
 Last orbital group to expand (moto) =    6
Orbital     1 of  SG    1 symmetry normalization integral =  0.99063611
Orbital     2 of  SU    1 symmetry normalization integral =  0.99269796
Orbital     3 of  SG    1 symmetry normalization integral =  0.99943083
Orbital     4 of  SU    1 symmetry normalization integral =  0.99969258
Orbital     5 of  SG    1 symmetry normalization integral =  0.99981029
Orbital     6 of  PU    1 symmetry normalization integral =  0.99999566
Time Now =         2.4577  Delta time =         1.1306 End ExpOrb

+ Command GetPot
+

----------------------------------------------------------------------
Den - Electron density construction program
----------------------------------------------------------------------

Total density =     14.00000000
Time Now =         2.4633  Delta time =         0.0055 End Den

----------------------------------------------------------------------
StPot - Compute the static potential from the density
----------------------------------------------------------------------

 vasymp =  0.14000000E+02 facnorm =  0.10000000E+01
Time Now =         2.4919  Delta time =         0.0287 Electronic part
Time Now =         2.4937  Delta time =         0.0018 End StPot

----------------------------------------------------------------------
Vposfit - positron polarization potential fitting program
----------------------------------------------------------------------

LMax for fitting =    25

Plots requested:
   #  Theta(deg)  Phi(deg)
 -------------------------
   1        0.00      0.00
   2       90.00      0.00

Reading positron polarization potential from file: /scratch/rrl581a/ePolyScat.E2/tests/test33.dat

Tolerance used to distinguish different coordinates =      0.100E-05

R values found N =  116
   0.00100   0.10000   0.20000   0.30000   0.40000
   0.50000   0.60000   0.70000   0.80000   0.90000
   1.00000   1.10000   1.20000   1.30000   1.40000
   1.50000   1.60000   1.70000   1.80000   1.90000
   2.00000   2.10000   2.20000   2.30000   2.40000
   2.50000   2.60000   2.70000   2.80000   2.90000
   3.00000   3.10000   3.20000   3.30000   3.40000
   3.50000   3.60000   3.70000   3.80000   3.90000
   4.00000   4.10000   4.20000   4.30000   4.40000
   4.50000   4.60000   4.70000   4.80000   4.90000
   5.00000   5.20000   5.40000   5.60000   5.80000
   6.00000   6.20000   6.40000   6.60000   6.80000
   7.00000   7.20000   7.40000   7.60000   7.80000
   8.00000   8.20000   8.40000   8.60000   8.80000
   9.00000   9.20000   9.40000   9.60000   9.80000
  10.00000  10.25000  10.50000  10.75000  11.00000
  11.25000  11.50000  11.75000  12.00000  12.25000
  12.50000  12.75000  13.00000  13.25000  13.50000
  13.75000  14.00000  14.25000  14.50000  14.75000
  15.00000  15.25000  15.50000  15.75000  16.00000
  16.25000  16.50000  16.75000  17.00000  17.25000
  17.50000  17.75000  18.00000  18.25000  18.50000
  18.75000  19.00000  19.25000  19.50000  19.75000
  20.00000

Cos Theta-Phi values found N = 2457
    1  -0.99371  -3.13274
    2  -0.97493  -3.13274
    3  -0.94388  -3.13274
    4  -0.90097  -3.13274
    5  -0.84672  -3.13274
    6  -0.78183  -3.13274
    7  -0.70711  -3.13274
    8  -0.62349  -3.13274
    9  -0.53203  -3.13274
   10  -0.43388  -3.13274
   11  -0.33028  -3.13274
   12  -0.22252  -3.13274
   13  -0.11196  -3.13274
   14   0.00000  -3.13274
   15   0.11196  -3.13274
   16   0.22252  -3.13274
   17   0.33028  -3.13274
   18   0.43388  -3.13274
   19   0.53203  -3.13274
   20   0.62349  -3.13274
   21   0.70711  -3.13274
   22   0.78183  -3.13274
   23   0.84672  -3.13274
   24   0.90097  -3.13274
   25   0.94388  -3.13274
   26   0.97493  -3.13274
   27   0.99371  -3.13274
   28  -0.99371  -3.11504
   29  -0.97493  -3.11504
   30  -0.94388  -3.11504
   31  -0.90097  -3.11504
   32  -0.84672  -3.11504
   33  -0.78183  -3.11504
   34  -0.70711  -3.11504
   35  -0.62349  -3.11504
   36  -0.53203  -3.11504
   37  -0.43388  -3.11504
   38  -0.33028  -3.11504
   39  -0.22252  -3.11504
   40  -0.11196  -3.11504
   41   0.00000  -3.11504
   42   0.11196  -3.11504
   43   0.22252  -3.11504
   44   0.33028  -3.11504
   45   0.43388  -3.11504
   46   0.53203  -3.11504
   47   0.62349  -3.11504
   48   0.70711  -3.11504
   49   0.78183  -3.11504
   50   0.84672  -3.11504
   51   0.90097  -3.11504
   52   0.94388  -3.11504
   53   0.97493  -3.11504
   54   0.99371  -3.11504
   55  -0.99371  -2.98230
   56  -0.97493  -2.98230
   57  -0.94388  -2.98230
   58  -0.90097  -2.98230
   59  -0.84672  -2.98230
   60  -0.78183  -2.98230
   61  -0.70711  -2.98230
   62  -0.62349  -2.98230
   63  -0.53203  -2.98230
   64  -0.43388  -2.98230
   65  -0.33028  -2.98230
   66  -0.22252  -2.98230
   67  -0.11196  -2.98230
   68   0.00000  -2.98230
   69   0.11196  -2.98230
   70   0.22252  -2.98230
   71   0.33028  -2.98230
   72   0.43388  -2.98230
   73   0.53203  -2.98230
   74   0.62349  -2.98230
   75   0.70711  -2.98230
   76   0.78183  -2.98230
   77   0.84672  -2.98230
   78   0.90097  -2.98230
   79   0.94388  -2.98230
   80   0.97493  -2.98230
   81   0.99371  -2.98230
   82  -0.99371  -2.96459
   83  -0.97493  -2.96459
   84  -0.94388  -2.96459
   85  -0.90097  -2.96459
   86  -0.84672  -2.96459
   87  -0.78183  -2.96459
   88  -0.70711  -2.96459
   89  -0.62349  -2.96459
   90  -0.53203  -2.96459
   91  -0.43388  -2.96459
   92  -0.33028  -2.96459
   93  -0.22252  -2.96459
   94  -0.11196  -2.96459
   95   0.00000  -2.96459
   96   0.11196  -2.96459
   97   0.22252  -2.96459
   98   0.33028  -2.96459
   99   0.43388  -2.96459
  100   0.53203  -2.96459
  101   0.62349  -2.96459
  102   0.70711  -2.96459
  103   0.78183  -2.96459
  104   0.84672  -2.96459
  105   0.90097  -2.96459
  106   0.94388  -2.96459
  107   0.97493  -2.96459
  108   0.99371  -2.96459
  109  -0.99371  -2.84956
  110  -0.97493  -2.84956
  111  -0.94388  -2.84956
  112  -0.90097  -2.84956
  113  -0.84672  -2.84956
  114  -0.78183  -2.84956
  115  -0.70711  -2.84956
  116  -0.62349  -2.84956
  117  -0.53203  -2.84956
  118  -0.43388  -2.84956
  119  -0.33028  -2.84956
  120  -0.22252  -2.84956
  121  -0.11196  -2.84956
  122   0.00000  -2.84956
  123   0.11196  -2.84956
  124   0.22252  -2.84956
  125   0.33028  -2.84956
  126   0.43388  -2.84956
  127   0.53203  -2.84956
  128   0.62349  -2.84956
  129   0.70711  -2.84956
  130   0.78183  -2.84956
  131   0.84672  -2.84956
  132   0.90097  -2.84956
  133   0.94388  -2.84956
  134   0.97493  -2.84956
  135   0.99371  -2.84956
  136  -0.99371  -2.83185
  137  -0.97493  -2.83185
  138  -0.94388  -2.83185
  139  -0.90097  -2.83185
  140  -0.84672  -2.83185
  141  -0.78183  -2.83185
  142  -0.70711  -2.83185
  143  -0.62349  -2.83185
  144  -0.53203  -2.83185
  145  -0.43388  -2.83185
  146  -0.33028  -2.83185
  147  -0.22252  -2.83185
  148  -0.11196  -2.83185
  149   0.00000  -2.83185
  150   0.11196  -2.83185
  151   0.22252  -2.83185
  152   0.33028  -2.83185
  153   0.43388  -2.83185
  154   0.53203  -2.83185
  155   0.62349  -2.83185
  156   0.70711  -2.83185
  157   0.78183  -2.83185
  158   0.84672  -2.83185
  159   0.90097  -2.83185
  160   0.94388  -2.83185
  161   0.97493  -2.83185
  162   0.99371  -2.83185
  163  -0.99371  -2.69911
  164  -0.97493  -2.69911
  165  -0.94388  -2.69911
  166  -0.90097  -2.69911
  167  -0.84672  -2.69911
  168  -0.78183  -2.69911
  169  -0.70711  -2.69911
  170  -0.62349  -2.69911
  171  -0.53203  -2.69911
  172  -0.43388  -2.69911
  173  -0.33028  -2.69911
  174  -0.22252  -2.69911
  175  -0.11196  -2.69911
  176   0.00000  -2.69911
  177   0.11196  -2.69911
  178   0.22252  -2.69911
  179   0.33028  -2.69911
  180   0.43388  -2.69911
  181   0.53203  -2.69911
  182   0.62349  -2.69911
  183   0.70711  -2.69911
  184   0.78183  -2.69911
  185   0.84672  -2.69911
  186   0.90097  -2.69911
  187   0.94388  -2.69911
  188   0.97493  -2.69911
  189   0.99371  -2.69911
  190  -0.99371  -2.68141
  191  -0.97493  -2.68141
  192  -0.94388  -2.68141
  193  -0.90097  -2.68141
  194  -0.84672  -2.68141
  195  -0.78183  -2.68141
  196  -0.70711  -2.68141
  197  -0.62349  -2.68141
  198  -0.53203  -2.68141
  199  -0.43388  -2.68141
  200  -0.33028  -2.68141
  201  -0.22252  -2.68141
  202  -0.11196  -2.68141
  203   0.00000  -2.68141
  204   0.11196  -2.68141
  205   0.22252  -2.68141
  206   0.33028  -2.68141
  207   0.43388  -2.68141
  208   0.53203  -2.68141
  209   0.62349  -2.68141
  210   0.70711  -2.68141
  211   0.78183  -2.68141
  212   0.84672  -2.68141
  213   0.90097  -2.68141
  214   0.94388  -2.68141
  215   0.97493  -2.68141
  216   0.99371  -2.68141
  217  -0.99371  -2.56637
  218  -0.97493  -2.56637
  219  -0.94388  -2.56637
  220  -0.90097  -2.56637
  221  -0.84672  -2.56637
  222  -0.78183  -2.56637
  223  -0.70711  -2.56637
  224  -0.62349  -2.56637
  225  -0.53203  -2.56637
  226  -0.43388  -2.56637
  227  -0.33028  -2.56637
  228  -0.22252  -2.56637
  229  -0.11196  -2.56637
  230   0.00000  -2.56637
  231   0.11196  -2.56637
  232   0.22252  -2.56637
  233   0.33028  -2.56637
  234   0.43388  -2.56637
  235   0.53203  -2.56637
  236   0.62349  -2.56637
  237   0.70711  -2.56637
  238   0.78183  -2.56637
  239   0.84672  -2.56637
  240   0.90097  -2.56637
  241   0.94388  -2.56637
  242   0.97493  -2.56637
  243   0.99371  -2.56637
  244  -0.99371  -2.54867
  245  -0.97493  -2.54867
  246  -0.94388  -2.54867
  247  -0.90097  -2.54867
  248  -0.84672  -2.54867
  249  -0.78183  -2.54867
  250  -0.70711  -2.54867
  251  -0.62349  -2.54867
  252  -0.53203  -2.54867
  253  -0.43388  -2.54867
  254  -0.33028  -2.54867
  255  -0.22252  -2.54867
  256  -0.11196  -2.54867
  257   0.00000  -2.54867
  258   0.11196  -2.54867
  259   0.22252  -2.54867
  260   0.33028  -2.54867
  261   0.43388  -2.54867
  262   0.53203  -2.54867
  263   0.62349  -2.54867
  264   0.70711  -2.54867
  265   0.78183  -2.54867
  266   0.84672  -2.54867
  267   0.90097  -2.54867
  268   0.94388  -2.54867
  269   0.97493  -2.54867
  270   0.99371  -2.54867
  271  -0.99371  -2.41593
  272  -0.97493  -2.41593
  273  -0.94388  -2.41593
  274  -0.90097  -2.41593
  275  -0.84672  -2.41593
  276  -0.78183  -2.41593
  277  -0.70711  -2.41593
  278  -0.62349  -2.41593
  279  -0.53203  -2.41593
  280  -0.43388  -2.41593
  281  -0.33028  -2.41593
  282  -0.22252  -2.41593
  283  -0.11196  -2.41593
  284   0.00000  -2.41593
  285   0.11196  -2.41593
  286   0.22252  -2.41593
  287   0.33028  -2.41593
  288   0.43388  -2.41593
  289   0.53203  -2.41593
  290   0.62349  -2.41593
  291   0.70711  -2.41593
  292   0.78183  -2.41593
  293   0.84672  -2.41593
  294   0.90097  -2.41593
  295   0.94388  -2.41593
  296   0.97493  -2.41593
  297   0.99371  -2.41593
  298  -0.99371  -2.39822
  299  -0.97493  -2.39822
  300  -0.94388  -2.39822
  301  -0.90097  -2.39822
  302  -0.84672  -2.39822
  303  -0.78183  -2.39822
  304  -0.70711  -2.39822
  305  -0.62349  -2.39822
  306  -0.53203  -2.39822
  307  -0.43388  -2.39822
  308  -0.33028  -2.39822
  309  -0.22252  -2.39822
  310  -0.11196  -2.39822
  311   0.00000  -2.39822
  312   0.11196  -2.39822
  313   0.22252  -2.39822
  314   0.33028  -2.39822
  315   0.43388  -2.39822
  316   0.53203  -2.39822
  317   0.62349  -2.39822
  318   0.70711  -2.39822
  319   0.78183  -2.39822
  320   0.84672  -2.39822
  321   0.90097  -2.39822
  322   0.94388  -2.39822
  323   0.97493  -2.39822
  324   0.99371  -2.39822
  325  -0.99371  -2.28319
  326  -0.97493  -2.28319
  327  -0.94388  -2.28319
  328  -0.90097  -2.28319
  329  -0.84672  -2.28319
  330  -0.78183  -2.28319
  331  -0.70711  -2.28319
  332  -0.62349  -2.28319
  333  -0.53203  -2.28319
  334  -0.43388  -2.28319
  335  -0.33028  -2.28319
  336  -0.22252  -2.28319
  337  -0.11196  -2.28319
  338   0.00000  -2.28319
  339   0.11196  -2.28319
  340   0.22252  -2.28319
  341   0.33028  -2.28319
  342   0.43388  -2.28319
  343   0.53203  -2.28319
  344   0.62349  -2.28319
  345   0.70711  -2.28319
  346   0.78183  -2.28319
  347   0.84672  -2.28319
  348   0.90097  -2.28319
  349   0.94388  -2.28319
  350   0.97493  -2.28319
  351   0.99371  -2.28319
  352  -0.99371  -2.26548
  353  -0.97493  -2.26548
  354  -0.94388  -2.26548
  355  -0.90097  -2.26548
  356  -0.84672  -2.26548
  357  -0.78183  -2.26548
  358  -0.70711  -2.26548
  359  -0.62349  -2.26548
  360  -0.53203  -2.26548
  361  -0.43388  -2.26548
  362  -0.33028  -2.26548
  363  -0.22252  -2.26548
  364  -0.11196  -2.26548
  365   0.00000  -2.26548
  366   0.11196  -2.26548
  367   0.22252  -2.26548
  368   0.33028  -2.26548
  369   0.43388  -2.26548
  370   0.53203  -2.26548
  371   0.62349  -2.26548
  372   0.70711  -2.26548
  373   0.78183  -2.26548
  374   0.84672  -2.26548
  375   0.90097  -2.26548
  376   0.94388  -2.26548
  377   0.97493  -2.26548
  378   0.99371  -2.26548
  379  -0.99371  -2.13274
  380  -0.97493  -2.13274
  381  -0.94388  -2.13274
  382  -0.90097  -2.13274
  383  -0.84672  -2.13274
  384  -0.78183  -2.13274
  385  -0.70711  -2.13274
  386  -0.62349  -2.13274
  387  -0.53203  -2.13274
  388  -0.43388  -2.13274
  389  -0.33028  -2.13274
  390  -0.22252  -2.13274
  391  -0.11196  -2.13274
  392   0.00000  -2.13274
  393   0.11196  -2.13274
  394   0.22252  -2.13274
  395   0.33028  -2.13274
  396   0.43388  -2.13274
  397   0.53203  -2.13274
  398   0.62349  -2.13274
  399   0.70711  -2.13274
  400   0.78183  -2.13274
  401   0.84672  -2.13274
  402   0.90097  -2.13274
  403   0.94388  -2.13274
  404   0.97493  -2.13274
  405   0.99371  -2.13274
  406  -0.99371  -2.11504
  407  -0.97493  -2.11504
  408  -0.94388  -2.11504
  409  -0.90097  -2.11504
  410  -0.84672  -2.11504
  411  -0.78183  -2.11504
  412  -0.70711  -2.11504
  413  -0.62349  -2.11504
  414  -0.53203  -2.11504
  415  -0.43388  -2.11504
  416  -0.33028  -2.11504
  417  -0.22252  -2.11504
  418  -0.11196  -2.11504
  419   0.00000  -2.11504
  420   0.11196  -2.11504
  421   0.22252  -2.11504
  422   0.33028  -2.11504
  423   0.43388  -2.11504
  424   0.53203  -2.11504
  425   0.62349  -2.11504
  426   0.70711  -2.11504
  427   0.78183  -2.11504
  428   0.84672  -2.11504
  429   0.90097  -2.11504
  430   0.94388  -2.11504
  431   0.97493  -2.11504
  432   0.99371  -2.11504
  433  -0.99371  -1.98230
  434  -0.97493  -1.98230
  435  -0.94388  -1.98230
  436  -0.90097  -1.98230
  437  -0.84672  -1.98230
  438  -0.78183  -1.98230
  439  -0.70711  -1.98230
  440  -0.62349  -1.98230
  441  -0.53203  -1.98230
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 1949  -0.84672   1.86726
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 1956  -0.22252   1.86726
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 1959   0.11196   1.86726
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 1964   0.62349   1.86726
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 1967   0.84672   1.86726
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 1973  -0.97493   1.88496
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 1983  -0.22252   1.88496
 1984  -0.11196   1.88496
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 1987   0.22252   1.88496
 1988   0.33028   1.88496
 1989   0.43388   1.88496
 1990   0.53203   1.88496
 1991   0.62349   1.88496
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 1994   0.84672   1.88496
 1995   0.90097   1.88496
 1996   0.94388   1.88496
 1997   0.97493   1.88496
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 1999  -0.99371   2.00000
 2000  -0.97493   2.00000
 2001  -0.94388   2.00000
 2002  -0.90097   2.00000
 2003  -0.84672   2.00000
 2004  -0.78183   2.00000
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 2006  -0.62349   2.00000
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 2008  -0.43388   2.00000
 2009  -0.33028   2.00000
 2010  -0.22252   2.00000
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 2012   0.00000   2.00000
 2013   0.11196   2.00000
 2014   0.22252   2.00000
 2015   0.33028   2.00000
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 2018   0.62349   2.00000
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 2022   0.90097   2.00000
 2023   0.94388   2.00000
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 2030  -0.84672   2.01770
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 2032  -0.70711   2.01770
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 2063  -0.33028   2.03541
 2064  -0.22252   2.03541
 2065  -0.11196   2.03541
 2066   0.00000   2.03541
 2067   0.11196   2.03541
 2068   0.22252   2.03541
 2069   0.33028   2.03541
 2070   0.43388   2.03541
 2071   0.53203   2.03541
 2072   0.62349   2.03541
 2073   0.70711   2.03541
 2074   0.78183   2.03541
 2075   0.84672   2.03541
 2076   0.90097   2.03541
 2077   0.94388   2.03541
 2078   0.97493   2.03541
 2079   0.99371   2.03541
 2080  -0.99371   2.15044
 2081  -0.97493   2.15044
 2082  -0.94388   2.15044
 2083  -0.90097   2.15044
 2084  -0.84672   2.15044
 2085  -0.78183   2.15044
 2086  -0.70711   2.15044
 2087  -0.62349   2.15044
 2088  -0.53203   2.15044
 2089  -0.43388   2.15044
 2090  -0.33028   2.15044
 2091  -0.22252   2.15044
 2092  -0.11196   2.15044
 2093   0.00000   2.15044
 2094   0.11196   2.15044
 2095   0.22252   2.15044
 2096   0.33028   2.15044
 2097   0.43388   2.15044
 2098   0.53203   2.15044
 2099   0.62349   2.15044
 2100   0.70711   2.15044
 2101   0.78183   2.15044
 2102   0.84672   2.15044
 2103   0.90097   2.15044
 2104   0.94388   2.15044
 2105   0.97493   2.15044
 2106   0.99371   2.15044
 2107  -0.99371   2.16815
 2108  -0.97493   2.16815
 2109  -0.94388   2.16815
 2110  -0.90097   2.16815
 2111  -0.84672   2.16815
 2112  -0.78183   2.16815
 2113  -0.70711   2.16815
 2114  -0.62349   2.16815
 2115  -0.53203   2.16815
 2116  -0.43388   2.16815
 2117  -0.33028   2.16815
 2118  -0.22252   2.16815
 2119  -0.11196   2.16815
 2120   0.00000   2.16815
 2121   0.11196   2.16815
 2122   0.22252   2.16815
 2123   0.33028   2.16815
 2124   0.43388   2.16815
 2125   0.53203   2.16815
 2126   0.62349   2.16815
 2127   0.70711   2.16815
 2128   0.78183   2.16815
 2129   0.84672   2.16815
 2130   0.90097   2.16815
 2131   0.94388   2.16815
 2132   0.97493   2.16815
 2133   0.99371   2.16815
 2134  -0.99371   2.30089
 2135  -0.97493   2.30089
 2136  -0.94388   2.30089
 2137  -0.90097   2.30089
 2138  -0.84672   2.30089
 2139  -0.78183   2.30089
 2140  -0.70711   2.30089
 2141  -0.62349   2.30089
 2142  -0.53203   2.30089
 2143  -0.43388   2.30089
 2144  -0.33028   2.30089
 2145  -0.22252   2.30089
 2146  -0.11196   2.30089
 2147   0.00000   2.30089
 2148   0.11196   2.30089
 2149   0.22252   2.30089
 2150   0.33028   2.30089
 2151   0.43388   2.30089
 2152   0.53203   2.30089
 2153   0.62349   2.30089
 2154   0.70711   2.30089
 2155   0.78183   2.30089
 2156   0.84672   2.30089
 2157   0.90097   2.30089
 2158   0.94388   2.30089
 2159   0.97493   2.30089
 2160   0.99371   2.30089
 2161  -0.99371   2.31859
 2162  -0.97493   2.31859
 2163  -0.94388   2.31859
 2164  -0.90097   2.31859
 2165  -0.84672   2.31859
 2166  -0.78183   2.31859
 2167  -0.70711   2.31859
 2168  -0.62349   2.31859
 2169  -0.53203   2.31859
 2170  -0.43388   2.31859
 2171  -0.33028   2.31859
 2172  -0.22252   2.31859
 2173  -0.11196   2.31859
 2174   0.00000   2.31859
 2175   0.11196   2.31859
 2176   0.22252   2.31859
 2177   0.33028   2.31859
 2178   0.43388   2.31859
 2179   0.53203   2.31859
 2180   0.62349   2.31859
 2181   0.70711   2.31859
 2182   0.78183   2.31859
 2183   0.84672   2.31859
 2184   0.90097   2.31859
 2185   0.94388   2.31859
 2186   0.97493   2.31859
 2187   0.99371   2.31859
 2188  -0.99371   2.43363
 2189  -0.97493   2.43363
 2190  -0.94388   2.43363
 2191  -0.90097   2.43363
 2192  -0.84672   2.43363
 2193  -0.78183   2.43363
 2194  -0.70711   2.43363
 2195  -0.62349   2.43363
 2196  -0.53203   2.43363
 2197  -0.43388   2.43363
 2198  -0.33028   2.43363
 2199  -0.22252   2.43363
 2200  -0.11196   2.43363
 2201   0.00000   2.43363
 2202   0.11196   2.43363
 2203   0.22252   2.43363
 2204   0.33028   2.43363
 2205   0.43388   2.43363
 2206   0.53203   2.43363
 2207   0.62349   2.43363
 2208   0.70711   2.43363
 2209   0.78183   2.43363
 2210   0.84672   2.43363
 2211   0.90097   2.43363
 2212   0.94388   2.43363
 2213   0.97493   2.43363
 2214   0.99371   2.43363
 2215  -0.99371   2.45133
 2216  -0.97493   2.45133
 2217  -0.94388   2.45133
 2218  -0.90097   2.45133
 2219  -0.84672   2.45133
 2220  -0.78183   2.45133
 2221  -0.70711   2.45133
 2222  -0.62349   2.45133
 2223  -0.53203   2.45133
 2224  -0.43388   2.45133
 2225  -0.33028   2.45133
 2226  -0.22252   2.45133
 2227  -0.11196   2.45133
 2228   0.00000   2.45133
 2229   0.11196   2.45133
 2230   0.22252   2.45133
 2231   0.33028   2.45133
 2232   0.43388   2.45133
 2233   0.53203   2.45133
 2234   0.62349   2.45133
 2235   0.70711   2.45133
 2236   0.78183   2.45133
 2237   0.84672   2.45133
 2238   0.90097   2.45133
 2239   0.94388   2.45133
 2240   0.97493   2.45133
 2241   0.99371   2.45133
 2242  -0.99371   2.58407
 2243  -0.97493   2.58407
 2244  -0.94388   2.58407
 2245  -0.90097   2.58407
 2246  -0.84672   2.58407
 2247  -0.78183   2.58407
 2248  -0.70711   2.58407
 2249  -0.62349   2.58407
 2250  -0.53203   2.58407
 2251  -0.43388   2.58407
 2252  -0.33028   2.58407
 2253  -0.22252   2.58407
 2254  -0.11196   2.58407
 2255   0.00000   2.58407
 2256   0.11196   2.58407
 2257   0.22252   2.58407
 2258   0.33028   2.58407
 2259   0.43388   2.58407
 2260   0.53203   2.58407
 2261   0.62349   2.58407
 2262   0.70711   2.58407
 2263   0.78183   2.58407
 2264   0.84672   2.58407
 2265   0.90097   2.58407
 2266   0.94388   2.58407
 2267   0.97493   2.58407
 2268   0.99371   2.58407
 2269  -0.99371   2.60178
 2270  -0.97493   2.60178
 2271  -0.94388   2.60178
 2272  -0.90097   2.60178
 2273  -0.84672   2.60178
 2274  -0.78183   2.60178
 2275  -0.70711   2.60178
 2276  -0.62349   2.60178
 2277  -0.53203   2.60178
 2278  -0.43388   2.60178
 2279  -0.33028   2.60178
 2280  -0.22252   2.60178
 2281  -0.11196   2.60178
 2282   0.00000   2.60178
 2283   0.11196   2.60178
 2284   0.22252   2.60178
 2285   0.33028   2.60178
 2286   0.43388   2.60178
 2287   0.53203   2.60178
 2288   0.62349   2.60178
 2289   0.70711   2.60178
 2290   0.78183   2.60178
 2291   0.84672   2.60178
 2292   0.90097   2.60178
 2293   0.94388   2.60178
 2294   0.97493   2.60178
 2295   0.99371   2.60178
 2296  -0.99371   2.71681
 2297  -0.97493   2.71681
 2298  -0.94388   2.71681
 2299  -0.90097   2.71681
 2300  -0.84672   2.71681
 2301  -0.78183   2.71681
 2302  -0.70711   2.71681
 2303  -0.62349   2.71681
 2304  -0.53203   2.71681
 2305  -0.43388   2.71681
 2306  -0.33028   2.71681
 2307  -0.22252   2.71681
 2308  -0.11196   2.71681
 2309   0.00000   2.71681
 2310   0.11196   2.71681
 2311   0.22252   2.71681
 2312   0.33028   2.71681
 2313   0.43388   2.71681
 2314   0.53203   2.71681
 2315   0.62349   2.71681
 2316   0.70711   2.71681
 2317   0.78183   2.71681
 2318   0.84672   2.71681
 2319   0.90097   2.71681
 2320   0.94388   2.71681
 2321   0.97493   2.71681
 2322   0.99371   2.71681
 2323  -0.99371   2.73452
 2324  -0.97493   2.73452
 2325  -0.94388   2.73452
 2326  -0.90097   2.73452
 2327  -0.84672   2.73452
 2328  -0.78183   2.73452
 2329  -0.70711   2.73452
 2330  -0.62349   2.73452
 2331  -0.53203   2.73452
 2332  -0.43388   2.73452
 2333  -0.33028   2.73452
 2334  -0.22252   2.73452
 2335  -0.11196   2.73452
 2336   0.00000   2.73452
 2337   0.11196   2.73452
 2338   0.22252   2.73452
 2339   0.33028   2.73452
 2340   0.43388   2.73452
 2341   0.53203   2.73452
 2342   0.62349   2.73452
 2343   0.70711   2.73452
 2344   0.78183   2.73452
 2345   0.84672   2.73452
 2346   0.90097   2.73452
 2347   0.94388   2.73452
 2348   0.97493   2.73452
 2349   0.99371   2.73452
 2350  -0.99371   2.86726
 2351  -0.97493   2.86726
 2352  -0.94388   2.86726
 2353  -0.90097   2.86726
 2354  -0.84672   2.86726
 2355  -0.78183   2.86726
 2356  -0.70711   2.86726
 2357  -0.62349   2.86726
 2358  -0.53203   2.86726
 2359  -0.43388   2.86726
 2360  -0.33028   2.86726
 2361  -0.22252   2.86726
 2362  -0.11196   2.86726
 2363   0.00000   2.86726
 2364   0.11196   2.86726
 2365   0.22252   2.86726
 2366   0.33028   2.86726
 2367   0.43388   2.86726
 2368   0.53203   2.86726
 2369   0.62349   2.86726
 2370   0.70711   2.86726
 2371   0.78183   2.86726
 2372   0.84672   2.86726
 2373   0.90097   2.86726
 2374   0.94388   2.86726
 2375   0.97493   2.86726
 2376   0.99371   2.86726
 2377  -0.99371   2.88496
 2378  -0.97493   2.88496
 2379  -0.94388   2.88496
 2380  -0.90097   2.88496
 2381  -0.84672   2.88496
 2382  -0.78183   2.88496
 2383  -0.70711   2.88496
 2384  -0.62349   2.88496
 2385  -0.53203   2.88496
 2386  -0.43388   2.88496
 2387  -0.33028   2.88496
 2388  -0.22252   2.88496
 2389  -0.11196   2.88496
 2390   0.00000   2.88496
 2391   0.11196   2.88496
 2392   0.22252   2.88496
 2393   0.33028   2.88496
 2394   0.43388   2.88496
 2395   0.53203   2.88496
 2396   0.62349   2.88496
 2397   0.70711   2.88496
 2398   0.78183   2.88496
 2399   0.84672   2.88496
 2400   0.90097   2.88496
 2401   0.94388   2.88496
 2402   0.97493   2.88496
 2403   0.99371   2.88496
 2404  -0.99371   3.00000
 2405  -0.97493   3.00000
 2406  -0.94388   3.00000
 2407  -0.90097   3.00000
 2408  -0.84672   3.00000
 2409  -0.78183   3.00000
 2410  -0.70711   3.00000
 2411  -0.62349   3.00000
 2412  -0.53203   3.00000
 2413  -0.43388   3.00000
 2414  -0.33028   3.00000
 2415  -0.22252   3.00000
 2416  -0.11196   3.00000
 2417   0.00000   3.00000
 2418   0.11196   3.00000
 2419   0.22252   3.00000
 2420   0.33028   3.00000
 2421   0.43388   3.00000
 2422   0.53203   3.00000
 2423   0.62349   3.00000
 2424   0.70711   3.00000
 2425   0.78183   3.00000
 2426   0.84672   3.00000
 2427   0.90097   3.00000
 2428   0.94388   3.00000
 2429   0.97493   3.00000
 2430   0.99371   3.00000
 2431  -0.99371   3.01770
 2432  -0.97493   3.01770
 2433  -0.94388   3.01770
 2434  -0.90097   3.01770
 2435  -0.84672   3.01770
 2436  -0.78183   3.01770
 2437  -0.70711   3.01770
 2438  -0.62349   3.01770
 2439  -0.53203   3.01770
 2440  -0.43388   3.01770
 2441  -0.33028   3.01770
 2442  -0.22252   3.01770
 2443  -0.11196   3.01770
 2444   0.00000   3.01770
 2445   0.11196   3.01770
 2446   0.22252   3.01770
 2447   0.33028   3.01770
 2448   0.43388   3.01770
 2449   0.53203   3.01770
 2450   0.62349   3.01770
 2451   0.70711   3.01770
 2452   0.78183   3.01770
 2453   0.84672   3.01770
 2454   0.90097   3.01770
 2455   0.94388   3.01770
 2456   0.97493   3.01770
 2457   0.99371   3.01770
Number of angular functions used for fitting =    10
Found RANK =    10 # Blm =    10
RMS Error at r =   0.00100  is   0.11621740E-11
RMS Error at r =   0.10000  is   0.17899484E-08
RMS Error at r =   0.20000  is   0.29506828E-08
RMS Error at r =   0.30000  is   0.28570669E-08
RMS Error at r =   0.40000  is   0.37611607E-08
RMS Error at r =   0.50000  is   0.53165168E-07
RMS Error at r =   0.60000  is   0.14925436E-06
RMS Error at r =   0.70000  is   0.18617952E-06
RMS Error at r =   0.80000  is   0.38222722E-06
RMS Error at r =   0.90000  is   0.89410147E-06
RMS Error at r =   1.00000  is   0.10417516E-05
RMS Error at r =   1.10000  is   0.84290291E-06
RMS Error at r =   1.20000  is   0.53438261E-06
RMS Error at r =   1.30000  is   0.14924379E-05
RMS Error at r =   1.40000  is   0.11762253E-05
RMS Error at r =   1.50000  is   0.10946502E-05
RMS Error at r =   1.60000  is   0.19212461E-05
RMS Error at r =   1.70000  is   0.21147036E-05
RMS Error at r =   1.80000  is   0.14756346E-05
RMS Error at r =   1.90000  is   0.10499257E-05
RMS Error at r =   2.00000  is   0.96036892E-06
RMS Error at r =   2.10000  is   0.54470860E-06
RMS Error at r =   2.20000  is   0.69969376E-06
RMS Error at r =   2.30000  is   0.23783056E-05
RMS Error at r =   2.40000  is   0.47314640E-05
RMS Error at r =   2.50000  is   0.77821346E-05
RMS Error at r =   2.60000  is   0.11365554E-04
RMS Error at r =   2.70000  is   0.15259999E-04
RMS Error at r =   2.80000  is   0.19525231E-04
RMS Error at r =   2.90000  is   0.24342618E-04
RMS Error at r =   3.00000  is   0.29256707E-04
RMS Error at r =   3.10000  is   0.33385214E-04
RMS Error at r =   3.20000  is   0.36353047E-04
RMS Error at r =   3.30000  is   0.38048904E-04
RMS Error at r =   3.40000  is   0.38218784E-04
RMS Error at r =   3.50000  is   0.36843854E-04
RMS Error at r =   3.60000  is   0.34342847E-04
RMS Error at r =   3.70000  is   0.31179311E-04
RMS Error at r =   3.80000  is   0.27674145E-04
RMS Error at r =   3.90000  is   0.24103820E-04
RMS Error at r =   4.00000  is   0.20705561E-04
RMS Error at r =   4.10000  is   0.17559856E-04
RMS Error at r =   4.20000  is   0.14691729E-04
RMS Error at r =   4.30000  is   0.12147529E-04
RMS Error at r =   4.40000  is   0.99229610E-05
RMS Error at r =   4.50000  is   0.79530084E-05
RMS Error at r =   4.60000  is   0.61927357E-05
RMS Error at r =   4.70000  is   0.46505534E-05
RMS Error at r =   4.80000  is   0.33751438E-05
RMS Error at r =   4.90000  is   0.24111284E-05
RMS Error at r =   5.00000  is   0.17466034E-05
RMS Error at r =   5.20000  is   0.10376215E-05
RMS Error at r =   5.40000  is   0.69986839E-06
RMS Error at r =   5.60000  is   0.51856296E-06
RMS Error at r =   5.80000  is   0.42433866E-06
RMS Error at r =   6.00000  is   0.35000948E-06
RMS Error at r =   6.20000  is   0.26390671E-06
RMS Error at r =   6.40000  is   0.19218874E-06
RMS Error at r =   6.60000  is   0.15105798E-06
RMS Error at r =   6.80000  is   0.14900996E-06
RMS Error at r =   7.00000  is   0.16904011E-06
RMS Error at r =   7.20000  is   0.18643278E-06
RMS Error at r =   7.40000  is   0.18635362E-06
RMS Error at r =   7.60000  is   0.16178782E-06
RMS Error at r =   7.80000  is   0.12161777E-06
RMS Error at r =   8.00000  is   0.81803876E-07
RMS Error at r =   8.20000  is   0.49905015E-07
RMS Error at r =   8.40000  is   0.28960224E-07
RMS Error at r =   8.60000  is   0.16310199E-07
RMS Error at r =   8.80000  is   0.99906000E-08
RMS Error at r =   9.00000  is   0.71610698E-08
RMS Error at r =   9.20000  is   0.57871217E-08
RMS Error at r =   9.40000  is   0.51706755E-08
RMS Error at r =   9.60000  is   0.49545979E-08
RMS Error at r =   9.80000  is   0.52787975E-08
RMS Error at r =  10.00000  is   0.46283261E-08
RMS Error at r =  10.25000  is   0.38984351E-08
RMS Error at r =  10.50000  is   0.37234893E-08
RMS Error at r =  10.75000  is   0.36221495E-08
RMS Error at r =  11.00000  is   0.32485886E-08
RMS Error at r =  11.25000  is   0.25101265E-08
RMS Error at r =  11.50000  is   0.20130254E-08
RMS Error at r =  11.75000  is   0.28116401E-08
RMS Error at r =  12.00000  is   0.24835977E-08
RMS Error at r =  12.25000  is   0.24368260E-08
RMS Error at r =  12.50000  is   0.21448937E-08
RMS Error at r =  12.75000  is   0.19159328E-08
RMS Error at r =  13.00000  is   0.19360433E-08
RMS Error at r =  13.25000  is   0.26769573E-08
RMS Error at r =  13.50000  is   0.23490713E-08
RMS Error at r =  13.75000  is   0.22606276E-08
RMS Error at r =  14.00000  is   0.18746574E-08
RMS Error at r =  14.25000  is   0.17485453E-08
RMS Error at r =  14.50000  is   0.18535239E-08
RMS Error at r =  14.75000  is   0.25788437E-08
RMS Error at r =  15.00000  is   0.22501279E-08
RMS Error at r =  15.25000  is   0.22255536E-08
RMS Error at r =  15.50000  is   0.20568104E-08
RMS Error at r =  15.75000  is   0.18964161E-08
RMS Error at r =  16.00000  is   0.18024515E-08
RMS Error at r =  16.25000  is   0.18056840E-08
RMS Error at r =  16.50000  is   0.28270675E-08
RMS Error at r =  16.75000  is   0.24373427E-08
RMS Error at r =  17.00000  is   0.22970163E-08
RMS Error at r =  17.25000  is   0.21347990E-08
RMS Error at r =  17.50000  is   0.19776966E-08
RMS Error at r =  17.75000  is   0.18877192E-08
RMS Error at r =  18.00000  is   0.19332837E-08
RMS Error at r =  18.25000  is   0.17196117E-08
RMS Error at r =  18.50000  is   0.25842656E-08
RMS Error at r =  18.75000  is   0.24516403E-08
RMS Error at r =  19.00000  is   0.23244598E-08
RMS Error at r =  19.25000  is   0.21305021E-08
RMS Error at r =  19.50000  is   0.20229199E-08
RMS Error at r =  19.75000  is   0.19408118E-08
RMS Error at r =  20.00000  is   0.19967211E-08

-- Fit for full symmetry angular functions --

                         1               2               3               4               5               6               7
   0.00100 -0.53074735E+00 -0.88456171E-07  0.15314484E-11 -0.87941922E-11  0.54542965E-11 -0.53914786E-16  0.23842855E-11 -0.569484
   0.10000 -0.53067482E+00 -0.93269088E-03  0.58754013E-06  0.84563716E-08 -0.24190304E-08 -0.74070879E-16  0.65067508E-08 -0.876074
   0.20000 -0.53046913E+00 -0.36699065E-02  0.10470742E-04 -0.14874061E-06  0.18858084E-07 -0.58900999E-16  0.21742182E-07 -0.680353
   0.30000 -0.53014566E+00 -0.80433647E-02  0.55846736E-04 -0.15274623E-05 -0.25631724E-06 -0.72160530E-16 -0.18705437E-07 -0.469632
   0.40000 -0.52969646E+00 -0.13814422E-01  0.17213565E-03 -0.59623834E-05 -0.14642276E-05 -0.57558000E-16 -0.27185373E-06 -0.119718
   0.50000 -0.52909502E+00 -0.20710950E-01  0.39627442E-03 -0.13196401E-04 -0.41006455E-05 -0.92679808E-16 -0.36055273E-06 -0.249803
   0.60000 -0.52830185E+00 -0.28450604E-01  0.76745092E-03 -0.15254029E-04 -0.10235876E-04 -0.69540996E-16 -0.54693513E-06 -0.591091
   0.70000 -0.52726432E+00 -0.36742662E-01  0.13184210E-02  0.32353392E-05 -0.22175241E-04 -0.44013586E-16 -0.12688180E-05 -0.482902
   0.80000 -0.52590597E+00 -0.45278984E-01  0.20686285E-02  0.64931258E-04 -0.35747994E-04 -0.52249654E-16 -0.11934929E-05 -0.116558
   0.90000 -0.52411788E+00 -0.53746021E-01  0.30096196E-02  0.18533292E-03 -0.45937354E-04 -0.82237513E-16 -0.22140042E-05 -0.216361
   1.00000 -0.52175910E+00 -0.61843416E-01  0.41037042E-02  0.36536183E-03 -0.48472617E-04 -0.57685863E-16 -0.58344661E-05 -0.890128
   1.10000 -0.51866433E+00 -0.69290486E-01  0.53020684E-02  0.59813535E-03 -0.38393614E-04 -0.16641544E-16 -0.10083288E-04  0.794606
   1.20000 -0.51466614E+00 -0.75842809E-01  0.65462139E-02  0.86125580E-03 -0.25351596E-04 -0.53598265E-16 -0.24299264E-04 -0.465154
   1.30000 -0.50960759E+00 -0.81282613E-01  0.77997061E-02  0.11497076E-02 -0.97324100E-06 -0.57171778E-16 -0.36117920E-04 -0.105686
   1.40000 -0.50336914E+00 -0.85447746E-01  0.90276580E-02  0.14509395E-02  0.34549361E-04 -0.40764309E-16 -0.39319116E-04 -0.588247
   1.50000 -0.49588314E+00 -0.88243576E-01  0.10197493E-01  0.17459363E-02  0.72703697E-04 -0.47294375E-16 -0.37053113E-04 -0.296722
   1.60000 -0.48714138E+00 -0.89648518E-01  0.11284473E-01  0.20197594E-02  0.10913105E-03 -0.19194395E-16 -0.31092553E-04 -0.635973
   1.70000 -0.47720009E+00 -0.89722534E-01  0.12262470E-01  0.22560034E-02  0.13982977E-03 -0.33614988E-16 -0.24105707E-04 -0.506598
   1.80000 -0.46617392E+00 -0.88600182E-01  0.13101298E-01  0.24363261E-02  0.15915073E-03 -0.33748352E-16 -0.20618613E-04 -0.246000
   1.90000 -0.45422270E+00 -0.86473288E-01  0.13768624E-01  0.25447065E-02  0.16141964E-03 -0.47483894E-16 -0.25097620E-04 -0.296071
   2.00000 -0.44153597E+00 -0.83572166E-01  0.14229418E-01  0.25690960E-02  0.14231857E-03 -0.45093809E-16 -0.38869638E-04 -0.537613
   2.10000 -0.42831724E+00 -0.80147205E-01  0.14443902E-01  0.24981485E-02  0.96275191E-04 -0.32862828E-16 -0.61507291E-04 -0.512816
   2.20000 -0.41476708E+00 -0.76447129E-01  0.14371446E-01  0.23201342E-02  0.15044497E-04 -0.42945680E-16 -0.95119286E-04 -0.189038
   2.30000 -0.40106776E+00 -0.72697073E-01  0.13979917E-01  0.20267598E-02 -0.10805763E-03 -0.29887321E-16 -0.14320657E-03 -0.686818
   2.40000 -0.38737327E+00 -0.69083888E-01  0.13251846E-01  0.16142140E-02 -0.27610340E-03 -0.40291083E-16 -0.20890881E-03 -0.538668
   2.50000 -0.37380384E+00 -0.65747231E-01  0.12188582E-01  0.10838165E-02 -0.48850655E-03 -0.28187555E-16 -0.29412999E-03 -0.604671
   2.60000 -0.36044413E+00 -0.62775170E-01  0.10813569E-01  0.44440740E-03 -0.74022737E-03 -0.36558906E-16 -0.39792130E-03 -0.439472
   2.70000 -0.34734551E+00 -0.60206468E-01  0.91711648E-02 -0.28681147E-03 -0.10225522E-02 -0.17007318E-16 -0.51642747E-03 -0.519864
   2.80000 -0.33453121E+00 -0.58037816E-01  0.73217629E-02 -0.10854694E-02 -0.13248366E-02 -0.14595038E-16 -0.64430991E-03 -0.720944
   2.90000 -0.32200253E+00 -0.56232815E-01  0.53364975E-02 -0.19207992E-02 -0.16344597E-02 -0.31607165E-16 -0.77493038E-03 -0.480845
   3.00000 -0.30974509E+00 -0.54731185E-01  0.32922674E-02 -0.27564583E-02 -0.19355574E-02 -0.35638991E-16 -0.89923444E-03 -0.200355
   3.10000 -0.29773574E+00 -0.53459661E-01  0.12644394E-02 -0.35551640E-02 -0.22111687E-02 -0.25523377E-16 -0.10074951E-02 -0.529190
   3.20000 -0.28594897E+00 -0.52342811E-01 -0.68076271E-03 -0.42851190E-02 -0.24476058E-02 -0.27289970E-16 -0.10928831E-02 -0.256123
   3.30000 -0.27436110E+00 -0.51309559E-01 -0.24890949E-02 -0.49220742E-02 -0.26352067E-02 -0.13542371E-16 -0.11513474E-02 -0.800358
   3.40000 -0.26295295E+00 -0.50297350E-01 -0.41189400E-02 -0.54494488E-02 -0.27679498E-02 -0.18558799E-16 -0.11807748E-02 -0.277387
   3.50000 -0.25171191E+00 -0.49255862E-01 -0.55424030E-02 -0.58593202E-02 -0.28445416E-02 -0.95043950E-17 -0.11818296E-02 -0.214486
   3.60000 -0.24063281E+00 -0.48148695E-01 -0.67450012E-02 -0.61520361E-02 -0.28683891E-02 -0.17696250E-16 -0.11580534E-02 -0.287890
   3.70000 -0.22971729E+00 -0.46952501E-01 -0.77231827E-02 -0.63337718E-02 -0.28456455E-02 -0.37138333E-16 -0.11142417E-02 -0.209780
   3.80000 -0.21897268E+00 -0.45655143E-01 -0.84817168E-02 -0.64142316E-02 -0.27835450E-02 -0.15588548E-16 -0.10552585E-02 -0.249655
   3.90000 -0.20841080E+00 -0.44254030E-01 -0.90318038E-02 -0.64053813E-02 -0.26898666E-02 -0.23143804E-16 -0.98593034E-03 -0.307706
   4.00000 -0.19804673E+00 -0.42754141E-01 -0.93893183E-02 -0.63203284E-02 -0.25723261E-02 -0.19258618E-16 -0.91077118E-03 -0.303064
   4.10000 -0.18789757E+00 -0.41165940E-01 -0.95729553E-02 -0.61720679E-02 -0.24378972E-02 -0.38609993E-17 -0.83354975E-03 -0.176580
   4.20000 -0.17798142E+00 -0.39503691E-01 -0.96030377E-02 -0.59728034E-02 -0.22925815E-02 -0.67627906E-17 -0.75725988E-03 -0.175220
   4.30000 -0.16831664E+00 -0.37784082E-01 -0.95006546E-02 -0.57337371E-02 -0.21414261E-02 -0.19162191E-16 -0.68416547E-03 -0.179633
   4.40000 -0.15892111E+00 -0.36024966E-01 -0.92869019E-02 -0.54647396E-02 -0.19884048E-02 -0.11869187E-16 -0.61572069E-03 -0.119487
   4.50000 -0.14981167E+00 -0.34244280E-01 -0.89822687E-02 -0.51742818E-02 -0.18364748E-02 -0.12484486E-16 -0.55262568E-03 -0.182123
   4.60000 -0.14100375E+00 -0.32459261E-01 -0.86062394E-02 -0.48695806E-02 -0.16878663E-02 -0.50616298E-17 -0.49512845E-03 -0.228149
   4.70000 -0.13251097E+00 -0.30685846E-01 -0.81769640E-02 -0.45568005E-02 -0.15442286E-02 -0.80831811E-17 -0.44316643E-03 -0.568071
   4.80000 -0.12434496E+00 -0.28938212E-01 -0.77109513E-02 -0.42411298E-02 -0.14067269E-02 -0.51179275E-17 -0.39648259E-03 -0.119895
   4.90000 -0.11651518E+00 -0.27228524E-01 -0.72228217E-02 -0.39268748E-02 -0.12760897E-02 -0.16342440E-16 -0.35465186E-03 -0.132905
   5.00000 -0.10902882E+00 -0.25566871E-01 -0.67252233E-02 -0.36176466E-02 -0.11526679E-02 -0.69995947E-17 -0.31715845E-03 -0.972685
   5.20000 -0.95104046E-01 -0.22418095E-01 -0.57424504E-02 -0.30258779E-02 -0.92797865E-03 -0.69160111E-17 -0.25318890E-03 -0.151528
   5.40000 -0.82583798E-01 -0.19534955E-01 -0.48254952E-02 -0.24847654E-02 -0.73265424E-03 -0.77704080E-17 -0.20147009E-03 -0.598143
   5.60000 -0.71447094E-01 -0.16936094E-01 -0.40096261E-02 -0.20067053E-02 -0.56571723E-03 -0.45332989E-17 -0.15954596E-03 -0.630016
   5.80000 -0.61641763E-01 -0.14622275E-01 -0.33079001E-02 -0.15976817E-02 -0.42543507E-03 -0.45395981E-17 -0.12519277E-03  0.429685
   6.00000 -0.53089492E-01 -0.12583041E-01 -0.27184065E-02 -0.12580782E-02 -0.31011600E-03 -0.93788865E-17 -0.96454576E-04 -0.352671
   6.20000 -0.45692155E-01 -0.10801718E-01 -0.22308032E-02 -0.98377072E-03 -0.21814789E-03 -0.47887420E-17 -0.71964654E-04 -0.376593
   6.40000 -0.39338860E-01 -0.92581986E-02 -0.18312167E-02 -0.76726284E-03 -0.14765444E-03 -0.22764260E-17 -0.51041741E-04 -0.450971
   6.60000 -0.33912919E-01 -0.79304739E-02 -0.15052483E-02 -0.59921239E-03 -0.96254032E-04 -0.23930795E-17 -0.33645662E-04 -0.283556
   6.80000 -0.29298167E-01 -0.67955758E-02 -0.12396922E-02 -0.46994470E-03 -0.60907918E-04 -0.34732271E-17 -0.19971129E-04 -0.667385
   7.00000 -0.25383915E-01 -0.58305487E-02 -0.10231991E-02 -0.37066605E-03 -0.38171718E-04 -0.22705938E-17 -0.10066175E-04 -0.312169
   7.20000 -0.22068304E-01 -0.50132894E-02 -0.84641457E-03 -0.29405923E-03 -0.24521049E-04 -0.21767345E-17 -0.36414662E-05 -0.356525
   7.40000 -0.19260076E-01 -0.43231959E-02 -0.70177059E-03 -0.23449471E-03 -0.16823543E-04 -0.17587703E-17 -0.50020750E-07 -0.165335
   7.60000 -0.16879157E-01 -0.37415359E-02 -0.58324378E-03 -0.18776386E-03 -0.12626818E-04 -0.14758871E-17  0.15210314E-05 -0.138889
   7.80000 -0.14856411E-01 -0.32516295E-02 -0.48605780E-03 -0.15087462E-03 -0.10246534E-04 -0.97056172E-18  0.18940103E-05 -0.100781
   8.00000 -0.13132957E-01 -0.28388095E-02 -0.40635396E-03 -0.12163790E-03 -0.86958191E-05 -0.93715594E-18  0.16780987E-05 -0.139956
   8.20000 -0.11659179E-01 -0.24903276E-02 -0.34097083E-03 -0.98452612E-04 -0.75000928E-05 -0.11164931E-17  0.12643988E-05 -0.472274
   8.40000 -0.10393695E-01 -0.21952803E-02 -0.28727495E-03 -0.80066611E-04 -0.64618172E-05 -0.10394830E-17  0.83902321E-06 -0.122526
   8.60000 -0.93022191E-02 -0.19444265E-02 -0.24307609E-03 -0.65461377E-04 -0.55363658E-05 -0.11734113E-17  0.47822900E-06 -0.114535
   8.80000 -0.83565126E-02 -0.17300835E-02 -0.20655628E-03 -0.53816970E-04 -0.47010818E-05 -0.27003259E-18  0.20315135E-06 -0.847021
   9.00000 -0.75333515E-02 -0.15459176E-02 -0.17626902E-03 -0.44479161E-04 -0.39500015E-05 -0.67599790E-18  0.13205555E-07 -0.874637
   9.20000 -0.68136820E-02 -0.13867761E-02 -0.15105356E-03 -0.36938950E-04 -0.32879972E-05 -0.60921462E-18 -0.11130982E-06 -0.557384
   9.40000 -0.61818075E-02 -0.12484706E-02 -0.12998657E-03 -0.30812935E-04 -0.27124094E-05 -0.47017965E-18 -0.18404615E-06 -0.597170
   9.60000 -0.56247820E-02 -0.11276128E-02 -0.11233132E-03 -0.25805390E-04 -0.22238180E-05 -0.47462280E-18 -0.21627441E-06 -0.284148
   9.80000 -0.51318719E-02 -0.10214662E-02 -0.97479982E-04 -0.21697726E-04 -0.18112607E-05 -0.48729487E-18 -0.22319537E-06 -0.477364
  10.00000 -0.46941065E-02 -0.92781303E-03 -0.84946226E-04 -0.18316042E-04 -0.14702913E-05 -0.46019649E-18 -0.21146547E-06 -0.749957
  10.25000 -0.42131342E-02 -0.82560394E-03 -0.71921153E-04 -0.14895423E-04 -0.11345807E-05 -0.72200015E-18 -0.18909958E-06 -0.804167
  10.50000 -0.37945605E-02 -0.73728742E-03 -0.61247901E-04 -0.12179833E-04 -0.88036650E-06 -0.36856409E-18 -0.16260879E-06 -0.335389
  10.75000 -0.34285506E-02 -0.66061206E-03 -0.52434136E-04 -0.10004385E-04 -0.69012337E-06 -0.29959400E-18 -0.13375837E-06 -0.375386
  11.00000 -0.31070737E-02 -0.59376996E-03 -0.45095694E-04 -0.82574126E-05 -0.54401402E-06 -0.34588564E-18 -0.10551687E-06 -0.272074
  11.25000 -0.28235165E-02 -0.53528708E-03 -0.38944762E-04 -0.68415094E-05 -0.42962001E-06 -0.15129706E-18 -0.81599368E-07 -0.357215
  11.50000 -0.25724265E-02 -0.48393860E-03 -0.33751845E-04 -0.56874507E-05 -0.34445550E-06 -0.33691793E-18 -0.63751946E-07 -0.469732
  11.75000 -0.23492694E-02 -0.43870764E-03 -0.29347510E-04 -0.47431644E-05 -0.27511091E-06 -0.12813056E-18 -0.47698336E-07 -0.375424
  12.00000 -0.21502796E-02 -0.39873499E-03 -0.25595621E-04 -0.39595127E-05 -0.22209116E-06 -0.95431820E-19 -0.35010488E-07 -0.278250
  12.25000 -0.19722939E-02 -0.36329349E-03 -0.22388872E-04 -0.33220715E-05 -0.18010913E-06 -0.55567507E-19 -0.24982087E-07 -0.199173
  12.50000 -0.18126321E-02 -0.33177699E-03 -0.19641145E-04 -0.27952781E-05 -0.14314590E-06 -0.66615799E-19 -0.17035451E-07 -0.263676
  12.75000 -0.16690270E-02 -0.30366640E-03 -0.17275878E-04 -0.23598620E-05 -0.11723959E-06 -0.11579213E-18 -0.13148795E-07 -0.110086
  13.00000 -0.15395365E-02 -0.27852319E-03 -0.15239673E-04 -0.19976897E-05 -0.95901893E-07 -0.13604981E-18 -0.75786372E-08 -0.883548
  13.25000 -0.14225093E-02 -0.25597543E-03 -0.13472455E-04 -0.16975070E-05 -0.74996531E-07 -0.10093187E-18 -0.49118036E-08 -0.149090
  13.50000 -0.13165070E-02 -0.23570389E-03 -0.11946415E-04 -0.14430138E-05 -0.63932868E-07 -0.20918308E-18 -0.34460699E-08 -0.265805
  13.75000 -0.12202971E-02 -0.21742549E-03 -0.10620477E-04 -0.12371569E-05 -0.51845057E-07 -0.13842230E-18 -0.37493388E-09 -0.962315
  14.00000 -0.11328001E-02 -0.20091282E-03 -0.94611040E-05 -0.10632270E-05 -0.44370532E-07 -0.75668802E-19 -0.12098205E-08 -0.939587
  14.25000 -0.10530763E-02 -0.18596260E-03 -0.84486602E-05 -0.91559205E-06 -0.37115921E-07 -0.14609315E-18 -0.50143538E-09 -0.189139
  14.50000 -0.98029520E-03 -0.17239575E-03 -0.75636976E-05 -0.79014121E-06 -0.32068554E-07 -0.45049536E-19  0.17243728E-08 -0.214954
  14.75000 -0.91374623E-03 -0.16006316E-03 -0.67791882E-05 -0.68444576E-06 -0.24013824E-07 -0.11579318E-18  0.18970667E-08 -0.169531
  15.00000 -0.85278771E-03 -0.14883163E-03 -0.60941759E-05 -0.58995100E-06 -0.23070829E-07 -0.10655686E-18  0.15746748E-08 -0.148856
  15.25000 -0.79686894E-03 -0.13857603E-03 -0.54878012E-05 -0.51531374E-06 -0.21165030E-07 -0.94039647E-19  0.23491863E-08 -0.765821
  15.50000 -0.74548895E-03 -0.12920041E-03 -0.49529844E-05 -0.45058513E-06 -0.16194099E-07 -0.66350484E-19  0.33073370E-08 -0.852106
  15.75000 -0.69821042E-03 -0.12061326E-03 -0.44759034E-05 -0.39503254E-06 -0.15696457E-07 -0.49851047E-19  0.19659090E-08 -0.667178
  16.00000 -0.65464351E-03 -0.11273621E-03 -0.40512278E-05 -0.34605215E-06 -0.14416007E-07 -0.63662899E-19  0.51191498E-09 -0.787820
  16.25000 -0.61443588E-03 -0.10549940E-03 -0.36764976E-05 -0.30270178E-06 -0.12285426E-07 -0.63670743E-19  0.35174081E-08 -0.352824
  16.50000 -0.57728579E-03 -0.98843786E-04 -0.33387283E-05 -0.26520002E-06 -0.80268024E-08 -0.87086793E-19  0.88191690E-09 -0.107325
  16.75000 -0.54291441E-03 -0.92709956E-04 -0.30377633E-05 -0.23355092E-06 -0.11378095E-07 -0.73250141E-19  0.34956515E-08 -0.499113
  17.00000 -0.51108153E-03 -0.87048135E-04 -0.27681250E-05 -0.20631004E-06 -0.10202805E-07 -0.27580613E-19  0.33332188E-08 -0.453633
  17.25000 -0.48155725E-03 -0.81815398E-04 -0.25282604E-05 -0.18350755E-06 -0.70320712E-08 -0.57511458E-19  0.41355911E-08 -0.104240
  17.50000 -0.45414471E-03 -0.76973053E-04 -0.23099132E-05 -0.16362231E-06 -0.80220910E-08 -0.63407059E-19  0.26683367E-08 -0.794389
  17.75000 -0.42866398E-03 -0.72487156E-04 -0.21127020E-05 -0.14506073E-06 -0.79794089E-08 -0.39040822E-19  0.10951075E-08 -0.601892
  18.00000 -0.40494976E-03 -0.68324847E-04 -0.19385910E-05 -0.12935470E-06 -0.41528881E-08 -0.36476922E-19  0.14563157E-08 -0.331651
  18.25000 -0.38286077E-03 -0.64463537E-04 -0.17778469E-05 -0.11274053E-06 -0.51893155E-08 -0.17202579E-19  0.49826098E-08 -0.513904
  18.50000 -0.36225892E-03 -0.60877962E-04 -0.16317019E-05 -0.10061409E-06 -0.39362055E-08 -0.37418746E-19  0.32081352E-08 -0.122542
  18.75000 -0.34303252E-03 -0.57534935E-04 -0.15023589E-05 -0.89281270E-07 -0.70191720E-08 -0.27692183E-19  0.37628098E-08 -0.273621
  19.00000 -0.32507283E-03 -0.54420817E-04 -0.13836360E-05 -0.79824373E-07 -0.65084892E-08 -0.42140735E-19  0.35772922E-08 -0.464433
  19.25000 -0.30827460E-03 -0.51513556E-04 -0.12771445E-05 -0.73312996E-07 -0.57557062E-08 -0.26959907E-19  0.30314192E-08 -0.395523
  19.50000 -0.29255389E-03 -0.48801982E-04 -0.11789413E-05 -0.65824029E-07 -0.53523436E-08 -0.23462604E-19  0.28841716E-08 -0.451725
  19.75000 -0.27782514E-03 -0.46266352E-04 -0.10882125E-05 -0.58830042E-07 -0.57132880E-08 -0.26293286E-19  0.12927451E-08 -0.307621
  20.00000 -0.26401191E-03 -0.43894145E-04 -0.10105217E-05 -0.54228819E-07 -0.27487257E-08 -0.34489640E-19  0.17321349E-08 -0.172915

                         9              10
   0.00100  0.13529430E-11 -0.63208599E-11
   0.10000 -0.46741939E-08 -0.14023059E-08
   0.20000 -0.89631337E-08  0.57023554E-08
   0.30000  0.18353872E-07  0.21748577E-07
   0.40000 -0.95028739E-07 -0.35733589E-07
   0.50000 -0.52758870E-06 -0.42470548E-06
   0.60000 -0.16212466E-05 -0.12854378E-05
   0.70000 -0.27125665E-05 -0.19303043E-05
   0.80000 -0.20272037E-05 -0.18747859E-05
   0.90000 -0.46339941E-06 -0.25521125E-05
   1.00000  0.22202216E-05 -0.21613270E-05
   1.10000  0.76991827E-05  0.33860079E-05
   1.20000  0.36388834E-05  0.81008630E-06
   1.30000 -0.22116323E-05 -0.57711873E-06
   1.40000 -0.61789284E-05  0.27220034E-05
   1.50000 -0.11027573E-04  0.50370612E-05
   1.60000 -0.15795307E-04  0.34698264E-05
   1.70000 -0.18025708E-04 -0.11703859E-05
   1.80000 -0.17080887E-04 -0.45634165E-05
   1.90000 -0.16026695E-04 -0.45932543E-05
   2.00000 -0.18726385E-04 -0.43654367E-05
   2.10000 -0.26490921E-04 -0.62603033E-05
   2.20000 -0.40373901E-04 -0.11309359E-04
   2.30000 -0.61568141E-04 -0.20611306E-04
   2.40000 -0.90855082E-04 -0.35050952E-04
   2.50000 -0.12872512E-03 -0.54877782E-04
   2.60000 -0.17476658E-03 -0.79287057E-04
   2.70000 -0.22763476E-03 -0.10719556E-03
   2.80000 -0.28563032E-03 -0.13827016E-03
   2.90000 -0.34617835E-03 -0.17208630E-03
   3.00000 -0.40421833E-03 -0.20564752E-03
   3.10000 -0.45363898E-03 -0.23443522E-03
   3.20000 -0.49049964E-03 -0.25585068E-03
   3.30000 -0.51277277E-03 -0.26865373E-03
   3.40000 -0.51936268E-03 -0.27172328E-03
   3.50000 -0.51097425E-03 -0.26526220E-03
   3.60000 -0.49027009E-03 -0.25128152E-03
   3.70000 -0.46050815E-03 -0.23216373E-03
   3.80000 -0.42462495E-03 -0.20982833E-03
   3.90000 -0.38531660E-03 -0.18599866E-03
   4.00000 -0.34495889E-03 -0.16219191E-03
   4.10000 -0.30535395E-03 -0.13943356E-03
   4.20000 -0.26780212E-03 -0.11836933E-03
   4.30000 -0.23318698E-03 -0.99527861E-04
   4.40000 -0.20198462E-03 -0.83154197E-04
   4.50000 -0.17422522E-03 -0.69163976E-04
   4.60000 -0.14975993E-03 -0.57366859E-04
   4.70000 -0.12834311E-03 -0.47664181E-04
   4.80000 -0.10972170E-03 -0.39893357E-04
   4.90000 -0.93543063E-04 -0.33806252E-04
   5.00000 -0.79452129E-04 -0.29054392E-04
   5.20000 -0.56356299E-04 -0.21957353E-04
   5.40000 -0.39055562E-04 -0.16305408E-04
   5.60000 -0.27209366E-04 -0.11655057E-04
   5.80000 -0.20281990E-04 -0.80991195E-05
   6.00000 -0.16970004E-04 -0.57078901E-05
   6.20000 -0.15608666E-04 -0.44043858E-05
   6.40000 -0.14711656E-04 -0.39351593E-05
   6.60000 -0.13310091E-04 -0.39134095E-05
   6.80000 -0.11161952E-04 -0.39287259E-05
   7.00000 -0.85361659E-05 -0.37292729E-05
   7.20000 -0.59194039E-05 -0.32283859E-05
   7.40000 -0.37163926E-05 -0.25130884E-05
   7.60000 -0.21216467E-05 -0.17706016E-05
   7.80000 -0.11194629E-05 -0.11269297E-05
   8.00000 -0.56851747E-06 -0.65891471E-06
   8.20000 -0.30185200E-06 -0.36460857E-06
   8.40000 -0.18457986E-06 -0.18778729E-06
   8.60000 -0.13134520E-06 -0.10157826E-06
   8.80000 -0.11714716E-06 -0.59584240E-07
   9.00000 -0.11322859E-06 -0.41205006E-07
   9.20000 -0.11172329E-06 -0.33093996E-07
   9.40000 -0.11084978E-06 -0.25413671E-07
   9.60000 -0.10529539E-06 -0.25855531E-07
   9.80000 -0.98569500E-07 -0.26041522E-07
  10.00000 -0.88704816E-07 -0.22216830E-07
  10.25000 -0.76258839E-07 -0.19426156E-07
  10.50000 -0.66122525E-07 -0.12064299E-07
  10.75000 -0.55029550E-07 -0.13824722E-07
  11.00000 -0.41567704E-07 -0.93690156E-08
  11.25000 -0.34625489E-07 -0.71179568E-08
  11.50000 -0.26653649E-07 -0.30598474E-08
  11.75000 -0.23409898E-07 -0.21777608E-08
  12.00000 -0.16577700E-07 -0.17333444E-08
  12.25000 -0.10764053E-07 -0.61843800E-09
  12.50000 -0.99513730E-08 -0.18803183E-09
  12.75000 -0.74457690E-08  0.22796571E-08
  13.00000 -0.93768157E-08  0.18245649E-08
  13.25000 -0.71649673E-08  0.11906054E-08
  13.50000 -0.48145940E-08  0.12793238E-08
  13.75000 -0.43510723E-08  0.13592046E-08
  14.00000 -0.30708330E-08  0.31981018E-08
  14.25000 -0.26673864E-08  0.30245137E-08
  14.50000 -0.58953387E-08  0.23223244E-08
  14.75000 -0.46715394E-08  0.15090299E-08
  15.00000 -0.30128472E-08  0.14725589E-08
  15.25000 -0.92441749E-09  0.16269049E-08
  15.50000 -0.28353799E-08  0.13854665E-08
  15.75000 -0.23636231E-08  0.33713867E-08
  16.00000 -0.36431489E-08  0.27345472E-08
  16.25000 -0.63484373E-08  0.34191008E-09
  16.50000 -0.25816901E-08  0.17633560E-08
  16.75000 -0.95969515E-09  0.18656377E-08
  17.00000 -0.89972847E-09  0.17592287E-08
  17.25000 -0.28582164E-08  0.15121044E-08
  17.50000 -0.24212605E-08  0.35076205E-08
  17.75000 -0.37443683E-08  0.28746692E-08
  18.00000 -0.52497281E-08  0.50490918E-09
  18.25000 -0.51044856E-08  0.17826298E-08
  18.50000 -0.53279762E-08  0.39551069E-08
  18.75000 -0.99886112E-09  0.19073691E-08
  19.00000 -0.94659373E-09  0.18085897E-08
  19.25000 -0.26121685E-08  0.37539937E-08
  19.50000 -0.24812625E-08  0.35651214E-08
  19.75000 -0.38217793E-08  0.29455736E-08
  20.00000 -0.45096601E-08  0.27659479E-08
Time Now =        13.3801  Delta time =        10.8864 End Vposfit
+ Data Record ScatContSym - 'SG'

+ Command ScatPos
+ 0.1 0.5 1.0

----------------------------------------------------------------------
ScatStab - Iterative exchange scattering program (rev. 04/25/2005)
----------------------------------------------------------------------

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =SG    1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (LMaxK) =    6
Maximum number of iterations (itmax) =   15
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Maximum l to include in potential (lpotct) =   -1
No exchange flag =   T
Runge Kutta factor  used (RungeKuttaFac) =    4
Error estimate for integrals used in convergence test (EpsIntError) =  0.10000000E-07
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (HFacWaveAsym) =  10.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-06
Asymptotic cutoff type (iAsymCond) =    1
Number of integration regions used =    65
Number of partial waves (np) =    10
Number of asymptotic solutions on the right (NAsymR) =     4
Number of asymptotic solutions on the left (NAsymL) =     4
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     4
Maximum in the asymptotic region (lpasym) =   13
Number of partial waves in the asymptotic region (npasym) =    9
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =  105
Changed sign of static potential for positron scattering
Found polarization potential
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    6
Highest l used at large r (lpasym) =   13
Higest l used in the asymptotic potential (lpzb) =   26
Maximum L used in the homogeneous solution (LMaxHomo) =   13
Number of partial waves in the homogeneous solution (npHomo) =    9
Time Now =        13.4081  Delta time =         0.0280 Energy independent setup

Compute solution for E =    0.1000000000 eV
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote =  0.31184383E-15
 i =  2  lval =   3  stpote =  0.13531978E-18
 i =  3  lval =   3  stpote =  0.52826400E-03
 i =  4  lval =   5  stpote =  0.40030901E-21
For potential     2
For potential     3
 i =  1  lvals =   4   6  stpote = -0.10210337E-03  second term = -0.10210337E-03
 i =  2  lvals =   4   4  stpote = -0.10028836E-19  second term =  0.00000000E+00
 i =  3  lvals =   4   6  stpote = -0.16975523E-04  second term = -0.16975523E-04
 i =  4  lvals =   6   6  stpote =  0.91972509E-20  second term =  0.00000000E+00
Number of asymptotic regions =      66
Final point in integration =   0.10292272E+04 Angstroms
Time Now =        15.5105  Delta time =         2.1024 End SolveHomo
iL =   1 Iter =   1 c.s. =    339.57564801 angs^2  rmsk=     0.39011516
iL =   1 Iter =   2 c.s. =    339.57564801 angs^2  rmsk=     0.00000000
iL =   1 Iter =   3 c.s. =    339.65511217 angs^2  rmsk=     0.00015696
iL =   1 Iter =   4 c.s. =    339.65510936 angs^2  rmsk=     0.00000001
iL =   1 Iter =   5 c.s. =    339.65510937 angs^2  rmsk=     0.00000000
iL =   2 Iter =   1 c.s. =    339.65510937 angs^2  rmsk=     0.00583917
iL =   2 Iter =   2 c.s. =    339.65510937 angs^2  rmsk=     0.00000000
iL =   2 Iter =   3 c.s. =    339.65509626 angs^2  rmsk=     0.00000213
iL =   2 Iter =   4 c.s. =    339.65509626 angs^2  rmsk=     0.00000000
iL =   2 Iter =   5 c.s. =    339.65509626 angs^2  rmsk=     0.00000000
iL =   3 Iter =   1 c.s. =    339.65509626 angs^2  rmsk=     0.00185225
iL =   3 Iter =   2 c.s. =    339.65509626 angs^2  rmsk=     0.00000000
iL =   3 Iter =   3 c.s. =    339.65509625 angs^2  rmsk=     0.00000001
iL =   4 Iter =   1 c.s. =    339.65509625 angs^2  rmsk=     0.00079995
iL =   4 Iter =   2 c.s. =    339.65509625 angs^2  rmsk=     0.00000000
iL =   4 Iter =   3 c.s. =    339.65509625 angs^2  rmsk=     0.00000000
     REAL PART -  Final k matrix
     ROW  1
  0.15608269E+01-0.14327507E-01 0.59915249E-04-0.51887500E-09
     ROW  2
 -0.14327507E-01-0.17780033E-01-0.48866189E-02-0.16958182E-05
     ROW  3
  0.59915251E-04-0.48866189E-02-0.52213895E-02-0.19359459E-02
     ROW  4
 -0.51887728E-09-0.16958181E-05-0.19359459E-02-0.25477027E-02
 eigenphases
 -0.1959409E-01 -0.4943570E-02 -0.1138946E-02  0.1001034E+01
 eigenphase sum 0.975358E+00  scattering length= -17.21773
 eps+pi 0.411695E+01  eps+2*pi 0.725854E+01

MaxIter =   5 c.s. =    339.65509625 angs^2  rmsk=     0.00000000
Time Now =        17.7959  Delta time =         2.2854 End ScatStab

----------------------------------------------------------------------
ScatStab - Iterative exchange scattering program (rev. 04/25/2005)
----------------------------------------------------------------------

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =SG    1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (LMaxK) =    6
Maximum number of iterations (itmax) =   15
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Maximum l to include in potential (lpotct) =   -1
No exchange flag =   T
Runge Kutta factor  used (RungeKuttaFac) =    4
Error estimate for integrals used in convergence test (EpsIntError) =  0.10000000E-07
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (HFacWaveAsym) =  10.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-06
Asymptotic cutoff type (iAsymCond) =    1
Number of integration regions used =    65
Number of partial waves (np) =    10
Number of asymptotic solutions on the right (NAsymR) =     4
Number of asymptotic solutions on the left (NAsymL) =     4
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     4
Maximum in the asymptotic region (lpasym) =   13
Number of partial waves in the asymptotic region (npasym) =    9
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =  105
Changed sign of static potential for positron scattering
Found polarization potential
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    6
Highest l used at large r (lpasym) =   13
Higest l used in the asymptotic potential (lpzb) =   26
Maximum L used in the homogeneous solution (LMaxHomo) =   13
Number of partial waves in the homogeneous solution (npHomo) =    9
Time Now =        17.8086  Delta time =         0.0127 Energy independent setup

Compute solution for E =    0.5000000000 eV
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote =  0.31184383E-15
 i =  2  lval =   3  stpote =  0.13531978E-18
 i =  3  lval =   3  stpote =  0.52826400E-03
 i =  4  lval =   5  stpote =  0.40030901E-21
For potential     2
For potential     3
 i =  1  lvals =   4   6  stpote = -0.10210337E-03  second term = -0.10210337E-03
 i =  2  lvals =   4   4  stpote = -0.10028836E-19  second term =  0.00000000E+00
 i =  3  lvals =   4   6  stpote = -0.16975523E-04  second term = -0.16975523E-04
 i =  4  lvals =   6   6  stpote =  0.91972509E-20  second term =  0.00000000E+00
Number of asymptotic regions =      85
Final point in integration =   0.60215775E+03 Angstroms
Time Now =        20.0677  Delta time =         2.2591 End SolveHomo
iL =   1 Iter =   1 c.s. =     40.82402742 angs^2  rmsk=     0.21520092
iL =   1 Iter =   2 c.s. =     40.82402742 angs^2  rmsk=     0.00000000
iL =   1 Iter =   3 c.s. =     40.83376149 angs^2  rmsk=     0.00004509
iL =   1 Iter =   4 c.s. =     40.83376112 angs^2  rmsk=     0.00000000
iL =   1 Iter =   5 c.s. =     40.83376112 angs^2  rmsk=     0.00000000
iL =   2 Iter =   1 c.s. =     40.83376112 angs^2  rmsk=     0.00993575
iL =   2 Iter =   2 c.s. =     40.83376112 angs^2  rmsk=     0.00000000
iL =   2 Iter =   3 c.s. =     40.83372337 angs^2  rmsk=     0.00000401
iL =   2 Iter =   4 c.s. =     40.83372337 angs^2  rmsk=     0.00000000
iL =   2 Iter =   5 c.s. =     40.83372337 angs^2  rmsk=     0.00000000
iL =   3 Iter =   1 c.s. =     40.83372337 angs^2  rmsk=     0.00374286
iL =   3 Iter =   2 c.s. =     40.83372337 angs^2  rmsk=     0.00000000
iL =   3 Iter =   3 c.s. =     40.83372333 angs^2  rmsk=     0.00000005
iL =   4 Iter =   1 c.s. =     40.83372333 angs^2  rmsk=     0.00163535
iL =   4 Iter =   2 c.s. =     40.83372333 angs^2  rmsk=     0.00000000
iL =   4 Iter =   3 c.s. =     40.83372333 angs^2  rmsk=     0.00000000
     REAL PART -  Final k matrix
     ROW  1
  0.85943928E+00-0.28433611E-01 0.12624526E-03 0.19444632E-06
     ROW  2
 -0.28433611E-01-0.25564065E-01-0.10794963E-01-0.18493757E-04
     ROW  3
  0.12624526E-03-0.10794963E-01-0.94527680E-02-0.42710301E-02
     ROW  4
  0.19444633E-06-0.18493757E-04-0.42710301E-02-0.49545743E-02
 eigenphases
 -0.3182768E-01 -0.8360238E-02 -0.6853829E-03  0.7104734E+00
 eigenphase sum 0.669600E+00  scattering length=  -4.12936
 eps+pi 0.381119E+01  eps+2*pi 0.695279E+01

MaxIter =   5 c.s. =     40.83372333 angs^2  rmsk=     0.00000000
Time Now =        22.3759  Delta time =         2.3082 End ScatStab

----------------------------------------------------------------------
ScatStab - Iterative exchange scattering program (rev. 04/25/2005)
----------------------------------------------------------------------

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =SG    1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (LMaxK) =    6
Maximum number of iterations (itmax) =   15
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Maximum l to include in potential (lpotct) =   -1
No exchange flag =   T
Runge Kutta factor  used (RungeKuttaFac) =    4
Error estimate for integrals used in convergence test (EpsIntError) =  0.10000000E-07
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (HFacWaveAsym) =  10.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-06
Asymptotic cutoff type (iAsymCond) =    1
Number of integration regions used =    65
Number of partial waves (np) =    10
Number of asymptotic solutions on the right (NAsymR) =     4
Number of asymptotic solutions on the left (NAsymL) =     4
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     4
Maximum in the asymptotic region (lpasym) =   13
Number of partial waves in the asymptotic region (npasym) =    9
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =  105
Changed sign of static potential for positron scattering
Found polarization potential
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    6
Highest l used at large r (lpasym) =   13
Higest l used in the asymptotic potential (lpzb) =   26
Maximum L used in the homogeneous solution (LMaxHomo) =   13
Number of partial waves in the homogeneous solution (npHomo) =    9
Time Now =        22.3886  Delta time =         0.0127 Energy independent setup

Compute solution for E =    1.0000000000 eV
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote =  0.31184383E-15
 i =  2  lval =   3  stpote =  0.13531978E-18
 i =  3  lval =   3  stpote =  0.52826400E-03
 i =  4  lval =   5  stpote =  0.40030901E-21
For potential     2
For potential     3
 i =  1  lvals =   4   6  stpote = -0.10210337E-03  second term = -0.10210337E-03
 i =  2  lvals =   4   4  stpote = -0.10028836E-19  second term =  0.00000000E+00
 i =  3  lvals =   4   6  stpote = -0.16975523E-04  second term = -0.16975523E-04
 i =  4  lvals =   6   6  stpote =  0.91972509E-20  second term =  0.00000000E+00
Number of asymptotic regions =      95
Final point in integration =   0.47806276E+03 Angstroms
Time Now =        24.6659  Delta time =         2.2773 End SolveHomo
iL =   1 Iter =   1 c.s. =     10.81311246 angs^2  rmsk=     0.13485281
iL =   1 Iter =   2 c.s. =     10.81311246 angs^2  rmsk=     0.00000000
iL =   1 Iter =   3 c.s. =     10.81629367 angs^2  rmsk=     0.00002706
iL =   1 Iter =   4 c.s. =     10.81629353 angs^2  rmsk=     0.00000000
iL =   1 Iter =   5 c.s. =     10.81629353 angs^2  rmsk=     0.00000000
iL =   2 Iter =   1 c.s. =     10.81629353 angs^2  rmsk=     0.01287081
iL =   2 Iter =   2 c.s. =     10.81629353 angs^2  rmsk=     0.00000000
iL =   2 Iter =   3 c.s. =     10.81621747 angs^2  rmsk=     0.00000620
iL =   2 Iter =   4 c.s. =     10.81621747 angs^2  rmsk=     0.00000000
iL =   2 Iter =   5 c.s. =     10.81621747 angs^2  rmsk=     0.00000000
iL =   3 Iter =   1 c.s. =     10.81621747 angs^2  rmsk=     0.00489681
iL =   3 Iter =   2 c.s. =     10.81621747 angs^2  rmsk=     0.00000000
iL =   3 Iter =   3 c.s. =     10.81621727 angs^2  rmsk=     0.00000013
iL =   4 Iter =   1 c.s. =     10.81621727 angs^2  rmsk=     0.00216124
iL =   4 Iter =   2 c.s. =     10.81621727 angs^2  rmsk=     0.00000000
iL =   4 Iter =   3 c.s. =     10.81621727 angs^2  rmsk=     0.00000000
     REAL PART -  Final k matrix
     ROW  1
  0.53467307E+00-0.45726273E-01 0.19727489E-04-0.20376686E-06
     ROW  2
 -0.45726273E-01-0.18151453E-01-0.15090828E-01-0.51072256E-04
     ROW  3
  0.19727496E-04-0.15090828E-01-0.10955210E-01-0.59921977E-02
     ROW  4
 -0.20376680E-06-0.51072256E-04-0.59921977E-02-0.62310617E-02
 eigenphases
 -0.3289184E-01 -0.8626881E-02  0.2433528E-02  0.4939189E+00
 eigenphase sum 0.454834E+00  scattering length=  -1.80383
 eps+pi 0.359643E+01  eps+2*pi 0.673802E+01

MaxIter =   5 c.s. =     10.81621727 angs^2  rmsk=     0.00000000
Time Now =        26.9827  Delta time =         2.3168 End ScatStab

+ Command TotalCrossSection
+
Symmetry SG -
        E (eV)      XS(angs^2)    EPS(radians)
       0.100000     339.655096       0.975358
       0.500000      40.833723       0.669600
       1.000000      10.816217       0.454834

 Total Cross Sections

 Energy      Total Cross Section
   0.10000   339.65510
   0.50000    40.83372
   1.00000    10.81622
Time Now =        26.9885  Delta time =         0.0058 Finalize