Execution on n0208.lr6

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ePolyScat Version E3
----------------------------------------------------------------------

Authors: R. R. Lucchese, N. Sanna, A. P. P. Natalense, and F. A. Gianturco
https://epolyscat.droppages.com
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).

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Starting at 2022-01-14  17:34:41.641 (GMT -0800)
Using    20 processors
Current git commit sha-1 836b26dfd5ffae0073e0f736b518bccf827345c3

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+ Start of Input Records
#
# input file for test37
#
# electron scattering from SF6
# using reduced symmetry (C4v) using the FixCharge data record to modify the recognized symmetry
#
  LMax   15     # maximum l to be used for wave functions
  LMaxI  40     # maximum l value used to determine numerical angular grids
  EMax  50.0    # EMax, maximum asymptotic energy in eV
  EngForm      # Energy formulas
    0 0
  VCorr 'PZ'
  AsyPol
   0.15   # SwitchD, distance where switching function is down to 0.1
   7     # nterm, number of terms needed to define asymptotic potential
   1     # center for polarization term 1 is for C atom
   1     # ittyp type of polarization term, = 1 for spherically symmetric
         # = 2 for reading in the full tensor
  16.198 # value of the spherical polarizability
   2     # center for polarization term 1 is for C atom
   1     # ittyp type of polarization term, = 1 for spherically symmetric
         # = 2 for reading in the full tensor
   4.656 # value of the spherical polarizability
   3     # center for polarization term 1 is for C atom
   1     # ittyp type of polarization term, = 1 for spherically symmetric
         # = 2 for reading in the full tensor
   4.656 # value of the spherical polarizability
   4     # center for polarization term 1 is for C atom
   1     # ittyp type of polarization term, = 1 for spherically symmetric
         # = 2 for reading in the full tensor
   4.656 # value of the spherical polarizability
   5     # center for polarization term 1 is for C atom
   1     # ittyp type of polarization term, = 1 for spherically symmetric
         # = 2 for reading in the full tensor
   4.656 # value of the spherical polarizability
   6     # center for polarization term 1 is for C atom
   1     # ittyp type of polarization term, = 1 for spherically symmetric
         # = 2 for reading in the full tensor
   4.656 # value of the spherical polarizability
   7     # center for polarization term 1 is for C atom
   1     # ittyp type of polarization term, = 1 for spherically symmetric
         # = 2 for reading in the full tensor
   4.656 # value of the spherical polarizability
   3     # icrtyp, flag to determine where r match is, 3 for second crossing
         # or at nearest approach
   0     # ilntyp, flag to determine what matching line is used, 0 - use
         # l = 0 radial function as matching function
  ScatEng 1.0      # list of scattering energies
  FegeEng 13.29   # Energy correction used in the fege potential
  LMaxK   10    # Maximum l in the K matirx
#
FixCharge
  2 10 'sym'
Convert '/global/home/users/rlucchese/Applications/ePolyScat/tests/test37.g03' 'g03'
GetBlms
ExpOrb
GetPot
  ScatContSym 'A1'  # Scattering symmetry
Scat
  ScatContSym 'E'  # Scattering symmetry
Scat
  GrnType  1     # type of Green function (0 -> K matrix, 1 -> T matrix)
  ScatContSym 'A1'  # Scattering symmetry
Scat
  ScatContSym 'E'  # Scattering symmetry
Scat
+ End of input reached
+ Data Record LMax - 15
+ Data Record LMaxI - 40
+ Data Record EMax - 50.0
+ Data Record EngForm - 0 0
+ Data Record VCorr - 'PZ'
+ Data Record AsyPol
+ 0.15 / 7 / 1 / 1 / 16.198 / 2 / 1 / 4.656 / 3 / 1 / 4.656 / 4 / 1 / 4.656 / 5 / 1 / 4.656 / 6 / 1 / 4.656 / 7 / 1
+ 4.656 / 3 / 0
+ Data Record ScatEng - 1.0
+ Data Record FegeEng - 13.29
+ Data Record LMaxK - 10
+ Data Record FixCharge - 2 10 'sym'

+ Command Convert
+ '/global/home/users/rlucchese/Applications/ePolyScat/tests/test37.g03' 'g03'

----------------------------------------------------------------------
GaussianCnv - read input from Gaussian output
----------------------------------------------------------------------

Conversion using g03
Changing the conversion factor for Bohr to Angstroms
New Value is  0.5291772083000000
Expansion center is (in Angstroms) -
     0.0000000000   0.0000000000   0.0000000000
Command line = # RHF/6-311G(2D,2P) 6D 10F SCF=TIGHT GFINPUT PUNCH=MO
CardFlag =    T
Normal Mode flag =    F
Selecting orbitals
from     1  to    35  number already selected     0
Number of orbitals selected is    35
Highest orbital read in is =   35
Time Now =         0.0135  Delta time =         0.0135 End GaussianCnv

Atoms found    7  Coordinates in Angstroms
Z = 16 ZS = 16 r =   0.0000000000   0.0000000000   0.0000000000
Z =  9 ZS = 10 r =   0.0000000000   0.0000000000   1.5602260000
Z =  9 ZS =  9 r =   0.0000000000   1.5602260000   0.0000000000
Z =  9 ZS =  9 r =  -1.5602260000   0.0000000000   0.0000000000
Z =  9 ZS =  9 r =   1.5602260000   0.0000000000   0.0000000000
Z =  9 ZS =  9 r =   0.0000000000  -1.5602260000   0.0000000000
Z =  9 ZS =  9 r =   0.0000000000   0.0000000000  -1.5602260000
Maximum distance from expansion center is    1.5602260000

+ Command GetBlms
+

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

#############################################################################
Expansion center is not at the center of charge
For high symmetry systems, a better expansion point may be
    0.0000000000    0.0000000000    0.0219750141
#############################################################################
Found point group  C4v
Reduce angular grid using nthd =  1  nphid =  4
Found point group for abelian subgroup C2v
Time Now =         0.0346  Delta time =         0.0210 End GetPGroup
List of unique axes
  N  Vector                      Z   R
  1  0.00000  0.00000  1.00000  10  1.56023   9  1.56023
  2  0.00000  1.00000  0.00000   9  1.56023   9  1.56023
  3 -1.00000  0.00000  0.00000   9  1.56023   9  1.56023
List of corresponding x axes
  N  Vector
  1  1.00000  0.00000  0.00000
  2  1.00000  0.00000  0.00000
  3  0.00000  1.00000  0.00000
Computed default value of LMaxA =   14
Determining angular grid in GetAxMax  LMax =   15  LMaxA =   14  LMaxAb =   30
MMax =    3  MMaxAbFlag =    1
For axis     1  mvals:
   0   1   2   3   4   5   6   7   8   9  10  11  12  13  14   3
For axis     2  mvals:
  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1   3
For axis     3  mvals:
  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1   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  27  28  29  30
For axis     2  mvals:
  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1
  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1
For axis     3  mvals:
  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1
  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1  -1

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

Point group is C4v
LMax    15
 The dimension of each irreducable representation is
    A1    (  1)    A2    (  1)    B1    (  1)    B2    (  1)    E     (  2)
 Number of symmetry operations in the abelian subgroup (excluding E) =    3
 The operations are -
     2     3     6
  Rep  Component  Sym Num  Num Found  Eigenvalues of abelian sub-group
 A1        1         1         39       1  1  1
 A2        1         2         22      -1 -1  1
 B1        1         3         31       1  1  1
 B2        1         4         30      -1 -1  1
 E         1         5         62      -1  1 -1
 E         2         6         62       1 -1 -1
Time Now =         0.1123  Delta time =         0.0777 End SymGen
Number of partial waves for each l in the full symmetry up to LMaxA
A1    1    0(   1)    1(   2)    2(   3)    3(   4)    4(   6)    5(   8)    6(  10)    7(  12)    8(  15)    9(  18)
          10(  21)   11(  24)   12(  28)   13(  32)   14(  36)
A2    1    0(   0)    1(   0)    2(   0)    3(   0)    4(   1)    5(   2)    6(   3)    7(   4)    8(   6)    9(   8)
          10(  10)   11(  12)   12(  15)   13(  18)   14(  21)
B1    1    0(   0)    1(   0)    2(   1)    3(   2)    4(   3)    5(   4)    6(   6)    7(   8)    8(  10)    9(  12)
          10(  15)   11(  18)   12(  21)   13(  24)   14(  28)
B2    1    0(   0)    1(   0)    2(   1)    3(   2)    4(   3)    5(   4)    6(   6)    7(   8)    8(  10)    9(  12)
          10(  15)   11(  18)   12(  21)   13(  24)   14(  28)
E     1    0(   0)    1(   1)    2(   2)    3(   4)    4(   6)    5(   9)    6(  12)    7(  16)    8(  20)    9(  25)
          10(  30)   11(  36)   12(  42)   13(  49)   14(  56)
E     2    0(   0)    1(   1)    2(   2)    3(   4)    4(   6)    5(   9)    6(  12)    7(  16)    8(  20)    9(  25)
          10(  30)   11(  36)   12(  42)   13(  49)   14(  56)

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

Point group is C2v
LMax    30
 The dimension of each irreducable representation is
    A1    (  1)    A2    (  1)    B1    (  1)    B2    (  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      -1.000000       0.000000       0.000000 ang =  0  1 type = 1 axis = 1
  3       0.000000       1.000000       0.000000 ang =  0  1 type = 1 axis = 2
  4       0.000000       0.000000       1.000000 ang =  1  2 type = 2 axis = 3
irep =    1  sym =A1    1  eigs =   1   1   1   1
irep =    2  sym =A2    1  eigs =   1  -1  -1   1
irep =    3  sym =B1    1  eigs =   1  -1   1  -1
irep =    4  sym =B2    1  eigs =   1   1  -1  -1
 Number of symmetry operations in the abelian subgroup (excluding E) =    3
 The operations are -
     2     3     4
  Rep  Component  Sym Num  Num Found  Eigenvalues of abelian sub-group
 A1        1         1        256       1  1  1
 A2        1         2        225      -1 -1  1
 B1        1         3        240      -1  1 -1
 B2        1         4        240       1 -1 -1
Time Now =         0.1163  Delta time =         0.0040 End SymGen

+ Command ExpOrb
+
In GetRMax, RMaxEps =  0.10000000E-05  RMax =    7.6821016117 Angs

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

HFacGauss    10.00000
HFacWave     10.00000
GridFac       1
MinExpFac   300.00000
Maximum R in the grid (RMax) =     7.68210 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) =   0.01058 Angs
Factor to increase grid by (GridFac) =     1

    1  Center at =     0.00000 Angs  Alpha Max = 0.93413E+05
    2  Center at =     1.56023 Angs  Alpha Max = 0.24300E+05

Generated Grid

  irg  nin  ntot      step Angs     R end Angs
    1    8     8    0.17314E-03     0.00139
    2    8    16    0.18458E-03     0.00286
    3    8    24    0.22753E-03     0.00468
    4    8    32    0.34522E-03     0.00744
    5    8    40    0.54886E-03     0.01183
    6    8    48    0.87261E-03     0.01882
    7    8    56    0.13873E-02     0.02991
    8    8    64    0.22057E-02     0.04756
    9    8    72    0.35067E-02     0.07561
   10    8    80    0.55752E-02     0.12021
   11    8    88    0.88638E-02     0.19112
   12   64   152    0.10584E-01     0.86847
   13   48   200    0.10584E-01     1.37648
   14    8   208    0.83742E-02     1.44348
   15    8   216    0.53174E-02     1.48601
   16    8   224    0.33800E-02     1.51305
   17    8   232    0.21484E-02     1.53024
   18    8   240    0.13656E-02     1.54117
   19    8   248    0.86805E-03     1.54811
   20    8   256    0.55188E-03     1.55253
   21    8   264    0.40163E-03     1.55574
   22    8   272    0.34784E-03     1.55852
   23    8   280    0.21299E-03     1.56023
   24    8   288    0.33947E-03     1.56294
   25    8   296    0.36190E-03     1.56584
   26    8   304    0.44612E-03     1.56941
   27    8   312    0.67686E-03     1.57482
   28    8   320    0.10761E-02     1.58343
   29    8   328    0.17109E-02     1.59712
   30    8   336    0.27201E-02     1.61888
   31    8   344    0.43245E-02     1.65347
   32    8   352    0.68754E-02     1.70848
   33   64   416    0.10584E-01     2.38582
   34   64   480    0.10584E-01     3.06317
   35   64   544    0.10584E-01     3.74052
   36   64   608    0.10584E-01     4.41786
   37   64   672    0.10584E-01     5.09521
   38   64   736    0.10584E-01     5.77256
   39   64   800    0.10584E-01     6.44990
   40   64   864    0.10584E-01     7.12725
   41   48   912    0.10584E-01     7.63526
   42    8   920    0.58550E-02     7.68210
Time Now =         0.1503  Delta time =         0.0340 End GenGrid

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

Maximum scattering l (lmax) =   15
Maximum scattering m (mmaxs) =   15
Maximum numerical integration l (lmaxi) =   40
Maximum numerical integration m (mmaxi) =   40
Maximum l to include in the asymptotic region (lmasym) =   14
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 =   14
 Actual value of lmasym found =     14
Number of regions of the same l expansion (NAngReg) =   11
Angular regions
    1 L =    2  from (    1)         0.00017  to (    7)         0.00121
    2 L =    5  from (    8)         0.00139  to (   23)         0.00445
    3 L =    6  from (   24)         0.00468  to (   31)         0.00710
    4 L =    7  from (   32)         0.00744  to (   47)         0.01794
    5 L =    8  from (   48)         0.01882  to (   55)         0.02853
    6 L =   10  from (   56)         0.02991  to (   63)         0.04535
    7 L =   11  from (   64)         0.04756  to (   71)         0.07211
    8 L =   13  from (   72)         0.07561  to (   79)         0.11464
    9 L =   14  from (   80)         0.12021  to (  151)         0.85789
   10 L =   15  from (  152)         0.86847  to (  448)         2.72450
   11 L =   14  from (  449)         2.73508  to (  920)         7.68210
There are     2 angular regions for computing spherical harmonics
    1 lval =   14
    2 lval =   15
Maximum number of processors is      114
Last grid points by processor WorkExp =     1.500
Proc id =   -1  Last grid point =       1
Proc id =    0  Last grid point =      96
Proc id =    1  Last grid point =     144
Proc id =    2  Last grid point =     184
Proc id =    3  Last grid point =     224
Proc id =    4  Last grid point =     264
Proc id =    5  Last grid point =     304
Proc id =    6  Last grid point =     344
Proc id =    7  Last grid point =     384
Proc id =    8  Last grid point =     424
Proc id =    9  Last grid point =     472
Proc id =   10  Last grid point =     512
Proc id =   11  Last grid point =     560
Proc id =   12  Last grid point =     608
Proc id =   13  Last grid point =     648
Proc id =   14  Last grid point =     696
Proc id =   15  Last grid point =     744
Proc id =   16  Last grid point =     784
Proc id =   17  Last grid point =     832
Proc id =   18  Last grid point =     880
Proc id =   19  Last grid point =     920
Time Now =         0.1875  Delta time =         0.0371 End AngGCt

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


 R of maximum density
     1  Orig    1  Eng =  -92.447865  A1    1 at max irg =   56  r =   0.02991
     2  Orig    2  Eng =  -26.385593  A1    1 at max irg =  280  r =   1.56023
     3  Orig    3  Eng =  -26.385593  B1    1 at max irg =  280  r =   1.56023
     4  Orig    4  Eng =  -26.385568  E     1 at max irg =  280  r =   1.56023
     5  Orig    5  Eng =  -26.385568  E     2 at max irg =  280  r =   1.56023
     6  Orig    6  Eng =  -26.385568  A1    1 at max irg =  280  r =   1.56023
     7  Orig    7  Eng =  -26.385523  A1    1 at max irg =  280  r =   1.56023
     8  Orig    8  Eng =   -9.388747  A1    1 at max irg =   88  r =   0.19112
     9  Orig    9  Eng =   -7.077915  E     1 at max irg =   88  r =   0.19112
    10  Orig   10  Eng =   -7.077915  E     2 at max irg =   88  r =   0.19112
    11  Orig   11  Eng =   -7.077915  A1    1 at max irg =   88  r =   0.19112
    12  Orig   12  Eng =   -1.843564  A1    1 at max irg =  200  r =   1.37648
    13  Orig   13  Eng =   -1.710841  E     1 at max irg =  280  r =   1.56023
    14  Orig   14  Eng =   -1.710841  E     2 at max irg =  280  r =   1.56023
    15  Orig   15  Eng =   -1.710841  A1    1 at max irg =  280  r =   1.56023
    16  Orig   16  Eng =   -1.655936  A1    1 at max irg =  280  r =   1.56023
    17  Orig   17  Eng =   -1.655936  B1    1 at max irg =  280  r =   1.56023
    18  Orig   18  Eng =   -1.099954  A1    1 at max irg =  360  r =   1.79315
    19  Orig   19  Eng =   -0.924335  E     1 at max irg =  360  r =   1.79315
    20  Orig   20  Eng =   -0.924335  E     2 at max irg =  360  r =   1.79315
    21  Orig   21  Eng =   -0.924335  A1    1 at max irg =  360  r =   1.79315
    22  Orig   22  Eng =   -0.831327  E     1 at max irg =  320  r =   1.58343
    23  Orig   23  Eng =   -0.831327  E     2 at max irg =  320  r =   1.58343
    24  Orig   24  Eng =   -0.831327  B2    1 at max irg =  320  r =   1.58343
    25  Orig   25  Eng =   -0.737660  A1    1 at max irg =  368  r =   1.87781
    26  Orig   26  Eng =   -0.737660  B1    1 at max irg =  368  r =   1.87781
    27  Orig   27  Eng =   -0.724814  E     1 at max irg =  320  r =   1.58343
    28  Orig   28  Eng =   -0.724814  E     2 at max irg =  320  r =   1.58343
    29  Orig   29  Eng =   -0.724814  B1    1 at max irg =  320  r =   1.58343
    30  Orig   30  Eng =   -0.712046  E     1 at max irg =  336  r =   1.61888
    31  Orig   31  Eng =   -0.712046  E     2 at max irg =  336  r =   1.61888
    32  Orig   32  Eng =   -0.712046  A1    1 at max irg =  336  r =   1.61888
    33  Orig   33  Eng =   -0.677520  E     1 at max irg =  320  r =   1.58343
    34  Orig   34  Eng =   -0.677520  E     2 at max irg =  320  r =   1.58343
    35  Orig   35  Eng =   -0.677520  A2    1 at max irg =  320  r =   1.58343

Rotation coefficients for orbital     1  grp =    1 A1    1
     1  1.0000000000

Rotation coefficients for orbital     2  grp =    2 A1    1
     1 -0.1769666129    2  0.9842168551

Rotation coefficients for orbital     3  grp =    2 B1    1
     1  0.9842168551    2  0.1769666129

Rotation coefficients for orbital     4  grp =    3 E     1
     1  1.0000000000    2  0.0000000000

Rotation coefficients for orbital     5  grp =    3 E     2
     1  0.0000000000    2 -1.0000000000

Rotation coefficients for orbital     6  grp =    4 A1    1
     1  1.0000000000

Rotation coefficients for orbital     7  grp =    5 A1    1
     1  1.0000000000

Rotation coefficients for orbital     8  grp =    6 A1    1
     1  1.0000000000

Rotation coefficients for orbital     9  grp =    7 E     1
     1  0.0000000000    2 -0.0000000000    3  1.0000000000

Rotation coefficients for orbital    10  grp =    7 E     2
     1  1.0000000000    2  0.0000000000    3 -0.0000000000

Rotation coefficients for orbital    11  grp =    7 A1    1
     1 -0.0000000000    2  1.0000000000    3  0.0000000000

Rotation coefficients for orbital    12  grp =    8 A1    1
     1  1.0000000000

Rotation coefficients for orbital    13  grp =    9 E     1
     1  1.0000000000    2  0.0000000000    3  0.0000000000

Rotation coefficients for orbital    14  grp =    9 E     2
     1  0.0000000000    2  0.0000000000    3 -1.0000000000

Rotation coefficients for orbital    15  grp =    9 A1    1
     1 -0.0000000000    2  1.0000000000    3  0.0000000000

Rotation coefficients for orbital    16  grp =   10 A1    1
     1  0.5002934503    2  0.8658559139

Rotation coefficients for orbital    17  grp =   10 B1    1
     1  0.8658559139    2 -0.5002934503

Rotation coefficients for orbital    18  grp =   11 A1    1
     1  1.0000000000

Rotation coefficients for orbital    19  grp =   12 E     1
     1 -0.0000000000    2  1.0000000000

Rotation coefficients for orbital    20  grp =   12 E     2
     1  1.0000000000    2  0.0000000000

Rotation coefficients for orbital    21  grp =   13 A1    1
     1  1.0000000000

Rotation coefficients for orbital    22  grp =   14 E     1
     1  1.0000000000    2  0.0000000000    3 -0.0000000000

Rotation coefficients for orbital    23  grp =   14 E     2
     1  0.0000000000    2  0.0000000000    3  1.0000000000

Rotation coefficients for orbital    24  grp =   14 B2    1
     1 -0.0000000000    2  1.0000000000    3 -0.0000000000

Rotation coefficients for orbital    25  grp =   15 A1    1
     1 -0.1633372268    2  0.9865702967

Rotation coefficients for orbital    26  grp =   15 B1    1
     1  0.9865702967    2  0.1633372268

Rotation coefficients for orbital    27  grp =   16 E     1
     1 -0.0000000000    2  1.0000000000

Rotation coefficients for orbital    28  grp =   16 E     2
     1  1.0000000000    2  0.0000000000

Rotation coefficients for orbital    29  grp =   17 B1    1
     1  1.0000000000

Rotation coefficients for orbital    30  grp =   18 E     1
     1  1.0000000000    2 -0.0000000000

Rotation coefficients for orbital    31  grp =   18 E     2
     1  0.0000000000    2  1.0000000000

Rotation coefficients for orbital    32  grp =   19 A1    1
     1  1.0000000000

Rotation coefficients for orbital    33  grp =   20 E     1
     1 -0.0000000000    2 -0.0000000000    3  1.0000000000

Rotation coefficients for orbital    34  grp =   20 E     2
     1  1.0000000000    2 -0.0000000000    3  0.0000000000

Rotation coefficients for orbital    35  grp =   20 A2    1
     1  0.0000000000    2  1.0000000000    3  0.0000000000
Number of orbital groups and degeneracis are        27
  1  1  1  2  1  1  1  2  1  1  2  1  1  1  1  2  1  2  1  1
  1  2  1  2  1  2  1
Number of orbital groups and number of electrons when fully occupied
        27
  2  2  2  4  2  2  2  4  2  2  4  2  2  2  2  4  2  4  2  2
  2  4  2  4  2  4  2
Time Now =         0.5133  Delta time =         0.3259 End RotOrb

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

 First orbital group to expand (mofr) =    1
 Last orbital group to expand (moto) =   27
Orbital     1 of  A1    1 symmetry normalization integral =  0.99999999
Orbital     2 of  A1    1 symmetry normalization integral =  0.55843519
Orbital     3 of  B1    1 symmetry normalization integral =  0.55904162
Orbital     4 of  E     1 symmetry normalization integral =  0.58871336
Orbital     5 of  A1    1 symmetry normalization integral =  0.58773011
Orbital     6 of  A1    1 symmetry normalization integral =  0.53527437
Orbital     7 of  A1    1 symmetry normalization integral =  0.99999990
Orbital     8 of  E     1 symmetry normalization integral =  0.99999984
Orbital     9 of  A1    1 symmetry normalization integral =  0.99999984
Orbital    10 of  A1    1 symmetry normalization integral =  0.96812201
Orbital    11 of  E     1 symmetry normalization integral =  0.96362569
Orbital    12 of  A1    1 symmetry normalization integral =  0.96361788
Orbital    13 of  A1    1 symmetry normalization integral =  0.95603091
Orbital    14 of  B1    1 symmetry normalization integral =  0.95603293
Orbital    15 of  A1    1 symmetry normalization integral =  0.98514733
Orbital    16 of  E     1 symmetry normalization integral =  0.99135577
Orbital    17 of  A1    1 symmetry normalization integral =  0.99135485
Orbital    18 of  E     1 symmetry normalization integral =  0.98380449
Orbital    19 of  B2    1 symmetry normalization integral =  0.98380448
Orbital    20 of  A1    1 symmetry normalization integral =  0.99404941
Orbital    21 of  B1    1 symmetry normalization integral =  0.99404961
Orbital    22 of  E     1 symmetry normalization integral =  0.98304626
Orbital    23 of  B1    1 symmetry normalization integral =  0.98304624
Orbital    24 of  E     1 symmetry normalization integral =  0.98575829
Orbital    25 of  A1    1 symmetry normalization integral =  0.98575827
Orbital    26 of  E     1 symmetry normalization integral =  0.97340207
Orbital    27 of  A2    1 symmetry normalization integral =  0.97340206
Time Now =         2.3049  Delta time =         1.7916 End ExpOrb

+ Command GetPot
+

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

Total density =     70.00000000
Time Now =         2.3244  Delta time =         0.0195 End Den

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

 vasymp =  0.70000000E+02 facnorm =  0.10000000E+01
Time Now =         2.3562  Delta time =         0.0318 Electronic part
Time Now =         2.3592  Delta time =         0.0030 End StPot

----------------------------------------------------------------------
vcppol - VCP polarization potential program
----------------------------------------------------------------------

Time Now =         2.3758  Delta time =         0.0166 End VcpPol

----------------------------------------------------------------------
AsyPol - Program to match polarization potential to asymptotic form
----------------------------------------------------------------------

Switching distance (SwitchD) =     0.15000
Number of terms in the asymptotic polarization potential (nterm) =    7
Term =    1  At center =    1
Explicit coordinates =  0.00000000E+00  0.00000000E+00  0.00000000E+00
Type =    1
Polarizability =  0.16198000E+02 au
Term =    2  At center =    2
Explicit coordinates =  0.00000000E+00  0.00000000E+00  0.15602260E+01
Type =    1
Polarizability =  0.46560000E+01 au
Term =    3  At center =    3
Explicit coordinates =  0.00000000E+00  0.15602260E+01  0.00000000E+00
Type =    1
Polarizability =  0.46560000E+01 au
Term =    4  At center =    4
Explicit coordinates = -0.15602260E+01  0.00000000E+00  0.00000000E+00
Type =    1
Polarizability =  0.46560000E+01 au
Term =    5  At center =    5
Explicit coordinates =  0.15602260E+01  0.00000000E+00  0.00000000E+00
Type =    1
Polarizability =  0.46560000E+01 au
Term =    6  At center =    6
Explicit coordinates =  0.00000000E+00 -0.15602260E+01  0.00000000E+00
Type =    1
Polarizability =  0.46560000E+01 au
Term =    7  At center =    7
Explicit coordinates =  0.00000000E+00  0.00000000E+00 -0.15602260E+01
Type =    1
Polarizability =  0.46560000E+01 au
Last center is at (RCenterX) =   1.56023 Angs
 Radial matching parameter (icrtyp) =    3
 Matching line type (ilntyp) =    0
 Using closest approach for matching r
 Matching point is at r =   3.2642829744 Angs
Matching uses closest approach (iMatchType = 2)
First nonzero weight at(RFirstWt)  R =        2.80917 Angs
Last point of the switching region (RLastWt) R=        3.74052 Angs
Total asymptotic potential is   0.44134000E+02 a.u.
Time Now =         2.4117  Delta time =         0.0359 End AsyPol
+ Data Record ScatContSym - 'A1'

+ Command Scat
+

----------------------------------------------------------------------
Fege - FEGE exchange potential construction program
----------------------------------------------------------------------

 Off set energy for computing fege eta (ecor) =  0.13290000E+02  eV
 Do E =  0.10000000E+01 eV (  0.36749326E-01 AU)
Time Now =         2.4278  Delta time =         0.0161 End Fege

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

Unit for output of final k matrices (iukmat) =    60
Symmetry type of scattering solution (symtps) = A1    1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =   10
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 =   F
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
Use fixed asymptotic polarization =  0.44134000E+02  au
Number of integration regions used =    67
Number of partial waves (np) =    39
Number of asymptotic solutions on the right (NAsymR) =    21
Number of asymptotic solutions on the left (NAsymL) =    21
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =    21
Maximum in the asymptotic region (lpasym) =   14
Number of partial waves in the asymptotic region (npasym) =   36
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =  225
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) =   15
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   14
Higest l used in the asymptotic potential (lpzb) =   28
Maximum L used in the homogeneous solution (LMaxHomo) =   14
Number of partial waves in the homogeneous solution (npHomo) =   36
Time Now =         2.4387  Delta time =         0.0109 Energy independent setup

Compute solution for E =    1.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.44134000E+02 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   0  1/r^n n =   4  StPot(RMax) = -0.71054274E-14 Asymp Coef   =  -0.67338124E-09 (eV Angs^(n))
 i =  2  lval =   1  1/r^n n =   2  StPot(RMax) =  0.00000000E+00 Asymp Moment =   0.00000000E+00 (e Angs^(n-1))
 i =  3  lval =   2  1/r^n n =   3  StPot(RMax) =  0.20816682E-16 Asymp Moment =  -0.70959517E-14 (e Angs^(n-1))
 i =  4  lval =   2  1/r^n n =   3  StPot(RMax) = -0.84293969E-05 Asymp Moment =   0.28733971E-02 (e Angs^(n-1))
For potential     2
 i =  1  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403438E-15
 i =  2  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403621E-15
 i =  3  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403958E-15
 i =  4  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29404399E-15
For potential     3
 i =  1  lvals =   6   8  stpote =  0.38328994E-04  second term =  0.51185855E-04
 i =  2  lvals =   5   5  stpote =  0.21335400E-18  second term =  0.00000000E+00
 i =  3  lvals =   6   6  stpote = -0.13451988E-18  second term =  0.00000000E+00
 i =  4  lvals =   6   6  stpote = -0.81775788E-11  second term =  0.00000000E+00
Number of asymptotic regions =      17
Final point in integration =   0.15494516E+03 Angstroms
Last asymptotic region is special region for dipole potential
Time Now =         8.3012  Delta time =         5.8625 End SolveHomo
     REAL PART -  Final K matrix
     ROW  1
 -0.10924749E+01-0.44210756E-16 0.45589821E-03-0.36713328E-17-0.14510657E-02
 -0.17140310E-02 0.43869788E-19-0.96933309E-19 0.93439439E-05-0.35133082E-05
 -0.21040108E-22 0.13798900E-19-0.71647607E-07-0.47022880E-07-0.88402035E-07
 -0.36038987E-22 0.55159311E-22-0.29896304E-21 0.11698502E-09 0.98240982E-10
 -0.69164286E-10
     ROW  2
 -0.91678757E-17-0.56795269E-01-0.72660630E-17-0.32594562E-02-0.88854665E-20
 -0.93565068E-20 0.11199003E-03 0.18317267E-03 0.45323085E-20-0.36542534E-19
 -0.74083402E-06-0.43998233E-07-0.36281741E-22 0.33519653E-22 0.28228122E-20
  0.77164244E-09 0.99737808E-09 0.90003202E-09-0.41581207E-22-0.17114183E-21
 -0.12219627E-20
     ROW  3
  0.45589821E-03-0.19742760E-16 0.54822869E-01-0.43652452E-17-0.10009619E-02
  0.89450927E-03 0.52151616E-19 0.35544674E-19 0.28809544E-04 0.76353470E-04
 -0.33209113E-21-0.49792726E-20-0.38006514E-07-0.15447107E-06 0.11322535E-06
  0.74160538E-22-0.95494732E-22-0.11598855E-20 0.16571254E-09 0.28204925E-09
  0.68367336E-09
     ROW  4
 -0.25679733E-17-0.32590060E-02-0.53738139E-17 0.33183874E-01 0.21118981E-19
 -0.93958694E-18-0.32657173E-03 0.33268277E-03 0.18736939E-20 0.20734574E-19
  0.95145625E-05 0.28977985E-04-0.57071765E-22-0.19507042E-21 0.59700349E-20
 -0.72321543E-08-0.45487815E-07 0.34152640E-07-0.29933261E-22 0.93917778E-23
 -0.18880714E-20
     ROW  5
 -0.14510652E-02 0.56980774E-20-0.10009619E-02-0.69240481E-19 0.14884181E-01
  0.33490579E-03-0.20011864E-18-0.52183787E-21-0.14164771E-03-0.23393238E-04
 -0.38881118E-19-0.10747355E-21 0.13192178E-04 0.40672349E-05 0.34609303E-06
  0.14061751E-21 0.10798097E-20 0.16429092E-22-0.20601987E-07 0.59020621E-09
 -0.13921504E-08
     ROW  6
 -0.17140304E-02 0.11333561E-18 0.89450927E-03-0.14413945E-17 0.33490579E-03
  0.15136518E-01 0.45066033E-20-0.68995822E-18-0.12349177E-03 0.13306749E-03
  0.44140802E-22 0.43430418E-22 0.32497693E-07 0.39074752E-05 0.13530139E-04
  0.20735287E-23-0.42615608E-22 0.41093444E-20-0.16431726E-08-0.16499432E-07
  0.12434924E-07
     ROW  7
  0.38443856E-19 0.11162314E-03 0.56163403E-20-0.32657173E-03-0.21710652E-18
  0.23147925E-20 0.76743335E-02 0.14721046E-03-0.18600625E-18-0.16247932E-22
 -0.51080709E-04-0.15057813E-04-0.15842480E-21-0.27189781E-19 0.22008609E-21
  0.51957507E-05 0.33433909E-05 0.24343188E-06-0.66894917E-22 0.21959527E-20
 -0.39233683E-23
     ROW  8
 -0.12743053E-18 0.18315776E-03 0.28020890E-19 0.33268277E-03-0.48467819E-21
 -0.70636646E-18 0.14721046E-03 0.80760828E-02 0.11494928E-20-0.35053154E-18
 -0.56908211E-04 0.67466466E-04 0.15995651E-22 0.33548445E-21-0.19086882E-19
  0.92072604E-08 0.18821572E-05 0.72806183E-05-0.17054891E-22-0.25371002E-22
  0.20391397E-20
     ROW  9
  0.93463953E-05 0.17341375E-20 0.28808494E-04 0.21393843E-20-0.14164764E-03
 -0.12349168E-03-0.19257526E-18-0.82288347E-22 0.46273553E-02 0.76839945E-04
 -0.10862379E-18 0.13685314E-21-0.16814365E-04-0.15253353E-04-0.97062815E-05
  0.61170506E-23-0.16200888E-19 0.99781725E-22 0.24649888E-05 0.24570110E-05
  0.16703854E-06
     ROW 10
 -0.35122585E-05-0.35595537E-19 0.76350709E-04 0.22973147E-19-0.23393270E-04
  0.13306746E-03-0.32186711E-21-0.34082008E-18 0.76839945E-04 0.48324338E-02
  0.41234471E-21-0.17785147E-18-0.10676004E-07-0.29887768E-04 0.39273947E-04
  0.65030926E-22 0.36982250E-22-0.12091158E-19 0.29907465E-08 0.10118896E-05
  0.42928835E-05
     ROW 11
  0.31229881E-21-0.73581549E-06 0.13731777E-21 0.95132869E-05-0.36440988E-19
  0.17563550E-21-0.51080701E-04-0.56908216E-04-0.10641714E-18 0.62564781E-22
  0.30212430E-02 0.43993740E-04-0.13537190E-21-0.55650549E-19-0.12369942E-21
 -0.12576739E-04-0.20328873E-05-0.64533663E-05 0.83271122E-23-0.88986851E-20
  0.17284839E-22
     ROW 12
  0.10136947E-19-0.60579010E-07-0.59251838E-20 0.28974821E-04-0.53286024E-21
 -0.56283657E-20-0.15057793E-04 0.67466457E-04 0.17498572E-21-0.17530846E-18
  0.43993740E-04 0.31235311E-02 0.68075689E-22-0.38937069E-21-0.88455621E-19
 -0.46187327E-08-0.17175643E-04 0.25085413E-04-0.13373476E-22 0.54972618E-22
 -0.10161008E-19
     ROW 13
 -0.71582509E-07 0.12424089E-21-0.38123514E-07-0.73068297E-21 0.13192170E-04
  0.32487381E-07 0.32300258E-21-0.42982779E-22-0.16814365E-04-0.10676018E-07
 -0.49307994E-22 0.13307198E-21 0.21064046E-02 0.46006366E-05 0.18694017E-08
  0.11640178E-20 0.48201762E-22 0.68164727E-22-0.10412107E-04-0.31407327E-06
 -0.16922134E-09
     ROW 14
 -0.46979368E-07 0.62980233E-22-0.15445401E-06 0.48490022E-21 0.40672293E-05
  0.39074683E-05-0.22167935E-19 0.21817025E-21-0.15253353E-04-0.29887768E-04
 -0.56352094E-19-0.66944369E-22 0.46006366E-05 0.20824251E-02 0.26958508E-04
  0.15822354E-21-0.29118018E-19 0.32549425E-22-0.86670610E-05 0.26817544E-05
 -0.44307088E-05
     ROW 15
 -0.88314550E-07 0.41530923E-20 0.11325484E-06 0.11071504E-19 0.34608239E-06
  0.13530127E-04 0.17818219E-21-0.18568869E-19-0.97062814E-05 0.39273948E-04
  0.32475732E-22-0.89398519E-19 0.18694017E-08 0.26958508E-04 0.21361299E-02
  0.38138845E-22-0.30478621E-21-0.40413737E-19-0.19870341E-08-0.10557094E-04
  0.17152817E-04
     ROW 16
 -0.79044188E-22 0.77413130E-09 0.19030159E-21-0.72288761E-08 0.18866217E-21
 -0.18669503E-21 0.51957507E-05 0.92072655E-08 0.57793298E-22-0.16429959E-23
 -0.12576739E-04-0.46187327E-08-0.37576627E-21 0.85808874E-23 0.17311282E-21
  0.14802090E-02 0.46198852E-05 0.10904414E-08-0.84850305E-21-0.54866644E-22
  0.39037024E-22
     ROW 17
  0.31205619E-21 0.99225459E-09 0.10024765E-21-0.45484607E-07 0.19812307E-20
  0.15421143E-21 0.33433909E-05 0.18821572E-05-0.15639810E-19 0.10837597E-21
 -0.20328873E-05-0.17175643E-04-0.41004634E-22-0.27348000E-19 0.47710089E-23
  0.46198852E-05 0.14956058E-02 0.17417213E-04-0.85643959E-22-0.13464949E-19
  0.40245558E-22
     ROW 18
 -0.19052363E-20 0.87096168E-09-0.40687109E-21 0.34150694E-07-0.83016102E-22
  0.54610481E-20 0.24343191E-06 0.72806196E-05-0.95208023E-22-0.11570890E-19
 -0.64533663E-05 0.25085413E-04-0.11061398E-21 0.10520549E-21-0.41672432E-19
  0.10904414E-08 0.17417213E-04 0.15255204E-02-0.20807673E-22 0.20239932E-22
 -0.19942669E-19
     ROW 19
  0.11686506E-09-0.25666976E-23 0.16569871E-09-0.38559161E-21-0.20601974E-07
 -0.16431535E-08 0.35241973E-22-0.93618857E-22 0.24649888E-05 0.29907465E-08
 -0.51398919E-22 0.65085727E-22-0.10412107E-04-0.86670610E-05-0.19870341E-08
  0.26536834E-21 0.41981066E-22-0.11776082E-21 0.10899101E-02 0.39602267E-05
  0.58524455E-09
     ROW 20
  0.98138923E-10-0.94440913E-22 0.28200663E-09-0.10600842E-21 0.59021071E-09
 -0.16499436E-07 0.13288266E-20 0.87421050E-22 0.24570110E-05 0.10118896E-05
 -0.95481692E-20-0.56040828E-22-0.31407327E-06 0.26817544E-05-0.10557094E-04
 -0.32902569E-22-0.13737428E-19 0.60289485E-22 0.39602267E-05 0.11098755E-02
  0.11742072E-04
     ROW 21
 -0.69087093E-10-0.53513417E-21 0.68357148E-09-0.36147880E-20-0.13921573E-08
  0.12434914E-07-0.14698673E-22 0.35325085E-20 0.16703854E-06 0.42928835E-05
 -0.32373945E-22-0.99397919E-20-0.16922134E-09-0.44307088E-05 0.17152817E-04
 -0.20733593E-22 0.33596445E-24-0.20362066E-19 0.58524455E-09 0.11742072E-04
  0.11274737E-02
 eigenphases
 -0.8295656E+00 -0.5685259E-01  0.1088802E-02  0.1104544E-02  0.1133294E-02
  0.1478098E-02  0.1489120E-02  0.1533395E-02  0.2070255E-02  0.2106815E-02
  0.2147335E-02  0.3003648E-02  0.3139650E-02  0.4598175E-02  0.4857508E-02
  0.7619782E-02  0.8124773E-02  0.1460839E-01  0.1537484E-01  0.3329793E-01
  0.5481306E-01
 eigenphase sum-0.722829E+00  scattering length=   3.25365
 eps+pi 0.241876E+01  eps+2*pi 0.556036E+01

MaxIter =   7 c.s. =     26.43371467 rmsk=     0.00000000  Abs eps    0.11348907E-05  Rel eps    0.81506856E-01
Time Now =        71.0478  Delta time =        62.7466 End ScatStab
+ Data Record ScatContSym - 'E'

+ Command Scat
+

----------------------------------------------------------------------
Fege - FEGE exchange potential construction program
----------------------------------------------------------------------

 Off set energy for computing fege eta (ecor) =  0.13290000E+02  eV
 Do E =  0.10000000E+01 eV (  0.36749326E-01 AU)
Time Now =        71.0671  Delta time =         0.0193 End Fege

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

Unit for output of final k matrices (iukmat) =    60
Symmetry type of scattering solution (symtps) = E     1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =   10
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 =   F
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
Use fixed asymptotic polarization =  0.44134000E+02  au
Number of integration regions used =    67
Number of partial waves (np) =    62
Number of asymptotic solutions on the right (NAsymR) =    30
Number of asymptotic solutions on the left (NAsymL) =    30
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =    30
Maximum in the asymptotic region (lpasym) =   14
Number of partial waves in the asymptotic region (npasym) =   56
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =  225
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) =   15
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   14
Higest l used in the asymptotic potential (lpzb) =   28
Maximum L used in the homogeneous solution (LMaxHomo) =   14
Number of partial waves in the homogeneous solution (npHomo) =   56
Time Now =        71.0758  Delta time =         0.0087 Energy independent setup

Compute solution for E =    1.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.44134000E+02 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   0  1/r^n n =   4  StPot(RMax) = -0.71054274E-14 Asymp Coef   =  -0.67338124E-09 (eV Angs^(n))
 i =  2  lval =   1  1/r^n n =   2  StPot(RMax) =  0.00000000E+00 Asymp Moment =   0.00000000E+00 (e Angs^(n-1))
 i =  3  lval =   2  1/r^n n =   3  StPot(RMax) =  0.20816682E-16 Asymp Moment =  -0.70959517E-14 (e Angs^(n-1))
 i =  4  lval =   2  1/r^n n =   3  StPot(RMax) = -0.84293969E-05 Asymp Moment =   0.28733971E-02 (e Angs^(n-1))
For potential     2
 i =  1  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403438E-15
 i =  2  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403621E-15
 i =  3  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403958E-15
 i =  4  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29404399E-15
For potential     3
 i =  1  lvals =   6   8  stpote =  0.38328994E-04  second term =  0.51185855E-04
 i =  2  lvals =   5   5  stpote =  0.21335400E-18  second term =  0.00000000E+00
 i =  3  lvals =   6   6  stpote = -0.13451988E-18  second term =  0.00000000E+00
 i =  4  lvals =   6   6  stpote = -0.81775788E-11  second term =  0.00000000E+00
Number of asymptotic regions =      17
Final point in integration =   0.15494516E+03 Angstroms
Last asymptotic region is special region for dipole potential
Time Now =        80.6624  Delta time =         9.5866 End SolveHomo
     REAL PART -  Final K matrix
     ROW  1
 -0.57641501E-01-0.51083383E-17-0.26582672E-02 0.21376585E-02 0.45620715E-19
  0.64888225E-20 0.15040082E-03-0.64356820E-05 0.15303773E-03 0.42119680E-21
  0.18818055E-21-0.15496807E-19-0.24966100E-06-0.55790970E-06 0.57561703E-07
  0.41848478E-06 0.81783841E-22-0.44562169E-21 0.44172132E-21 0.16557054E-20
  0.92268519E-09 0.39446076E-09 0.35972320E-09 0.10549877E-09 0.11251320E-08
 -0.18009225E-21-0.16807737E-21 0.54108149E-22 0.31483527E-22 0.34046868E-21
     ROW  2
 -0.48616942E-17 0.70292221E-01-0.52746069E-19-0.30574019E-17 0.60965618E-03
  0.27360586E-03 0.53667948E-21 0.12821624E-20 0.12218816E-18 0.33136149E-04
 -0.13574830E-04 0.66447460E-04-0.27124703E-21-0.84613164E-21-0.14625202E-21
 -0.95268920E-20 0.16557745E-07-0.15483058E-06 0.69464149E-07 0.78039809E-07
 -0.12838423E-21 0.62334589E-22-0.11831551E-21-0.39075319E-21-0.14660358E-22
  0.22618625E-09-0.57222469E-10 0.23827424E-09-0.13235549E-09 0.55111022E-09
     ROW  3
 -0.26582538E-02-0.35028199E-19 0.32225623E-01-0.94109551E-03-0.70796313E-18
 -0.34162088E-19 0.51577946E-05-0.36744789E-03 0.77417242E-04-0.33873546E-21
 -0.52097809E-19-0.16617357E-20 0.27178856E-04-0.65913833E-07 0.11126293E-04
 -0.11575785E-05 0.53664789E-22 0.40444217E-22 0.89584507E-20-0.57194942E-22
  0.12061472E-09-0.56805198E-07 0.64415019E-09 0.13232901E-08 0.52756995E-08
  0.29904387E-24-0.30751514E-22 0.57591252E-23 0.24887121E-21-0.28473424E-22
     ROW  4
  0.21376666E-02-0.34994710E-17-0.94109552E-03 0.31942330E-01 0.69559694E-19
 -0.15204463E-17-0.23664769E-03 0.19153063E-03 0.19149270E-03 0.23776780E-20
 -0.16951627E-20 0.19885124E-19-0.12522611E-06 0.10213350E-04-0.43487792E-05
  0.26448716E-04 0.25574780E-21-0.44600122E-22-0.11554098E-20 0.30159019E-20
 -0.66873920E-08 0.31727276E-08-0.44347126E-07 0.21208793E-07 0.27729268E-07
 -0.18229616E-22 0.29478706E-23 0.11546698E-21 0.71061961E-23-0.10069332E-20
     ROW  5
  0.33809273E-17 0.60965618E-03-0.73293869E-18 0.20863141E-19 0.14077026E-01
 -0.31698260E-03-0.65573279E-20-0.56292202E-18 0.38055131E-20 0.24776385E-06
 -0.85644914E-04 0.34011399E-04 0.60161516E-22 0.50729576E-23-0.33690059E-19
 -0.45437640E-21 0.87364302E-05-0.11421348E-07 0.75479460E-05-0.59633106E-06
  0.25086966E-22 0.21904619E-21-0.11332197E-21 0.43968731E-20-0.40636934E-22
  0.21406852E-11-0.22413908E-07 0.18327520E-09 0.35322415E-08 0.25253898E-08
     ROW  6
  0.86373839E-19 0.27360586E-03 0.31537363E-20-0.11730192E-17-0.31698260E-03
  0.14866514E-01 0.45549844E-20-0.23351648E-20-0.68352574E-18-0.93457495E-04
  0.72064622E-04 0.10006379E-03 0.16950129E-21-0.23586334E-21-0.10032229E-20
 -0.22266072E-19-0.24185056E-07 0.40657276E-05-0.18136008E-05 0.12767025E-04
 -0.18716834E-21-0.14180101E-21 0.97341015E-22 0.28583831E-21 0.46912213E-20
 -0.15992054E-08 0.72952042E-09-0.15842736E-07 0.79104180E-08 0.11059517E-07
     ROW  7
  0.15040059E-03 0.45084575E-21 0.51577554E-05-0.23664745E-03-0.72695478E-20
  0.54898760E-21 0.79785182E-02-0.29571751E-06 0.64208182E-04-0.50427211E-19
  0.26320181E-20 0.10676291E-21 0.41894905E-09-0.64348202E-04 0.18280774E-07
 -0.48140567E-05-0.15139353E-21-0.14617441E-19-0.14935320E-21-0.44946634E-23
  0.72763892E-05-0.39066773E-11 0.17462879E-05-0.61380372E-09 0.66170483E-07
 -0.29524591E-22 0.43220689E-22-0.33744578E-21 0.18956491E-22 0.33930920E-22
     ROW  8
 -0.64356395E-05-0.21289968E-19-0.36744777E-03 0.19153064E-03-0.57032090E-18
 -0.34659334E-20-0.29571886E-06 0.76973148E-02-0.12944233E-03-0.26637643E-20
 -0.29496028E-18 0.59239818E-20-0.34433869E-04 0.49417849E-07-0.14222305E-04
  0.17818873E-04-0.12941522E-21-0.63933954E-21-0.22382057E-19-0.42765043E-22
 -0.67872488E-11 0.37306156E-05-0.30371734E-08 0.48783041E-05-0.33769951E-06
 -0.33931864E-22 0.46397811E-22 0.56051551E-22 0.43580477E-20-0.26027804E-23
     ROW  9
  0.15303752E-03 0.10359250E-18 0.77417333E-04 0.19149280E-03 0.73892493E-20
 -0.70009959E-18 0.64208182E-04-0.12944233E-03 0.80135325E-02 0.40400641E-21
 -0.23419966E-21-0.35482403E-18 0.38078724E-07-0.44280417E-04 0.33559266E-04
  0.56436848E-04-0.74993654E-22 0.19240140E-21 0.17717749E-21-0.21373295E-19
  0.51807511E-08-0.60679972E-08 0.19059905E-05-0.89857056E-06 0.69883732E-05
 -0.44345333E-22-0.28827708E-22-0.42620196E-22 0.10282140E-21 0.47067513E-20
     ROW 10
  0.52596609E-21 0.33093416E-04-0.53117389E-21 0.23056403E-20 0.24794820E-06
 -0.93457164E-04-0.54559163E-19-0.32737430E-20-0.63055125E-21 0.46398922E-02
 -0.57707083E-07 0.40427817E-04-0.32652222E-20-0.54325838E-19 0.12954721E-20
  0.79878913E-22 0.10100366E-10-0.30108287E-04 0.60156136E-08-0.39366214E-05
 -0.26980875E-21-0.16677993E-21-0.11119762E-19 0.77783261E-22-0.12235882E-21
  0.32824584E-05-0.45834119E-12 0.16410754E-05-0.28433602E-09 0.58186422E-07
     ROW 11
  0.13936621E-20-0.13543792E-04-0.71037331E-19-0.18219300E-20-0.85643908E-04
  0.72064881E-04 0.35391369E-20-0.29624690E-18-0.64842694E-21-0.57707083E-07
  0.46805951E-02-0.63244415E-04-0.22669243E-21-0.22290539E-20-0.14095792E-18
  0.17915861E-20-0.22496393E-04 0.12579051E-07 0.41551169E-05 0.10323112E-04
 -0.69832664E-22 0.94968692E-22-0.35789526E-21-0.19924660E-19-0.16144927E-21
 -0.78749053E-12 0.18431340E-05-0.98215211E-09 0.31968143E-05-0.20692112E-06
     ROW 12
 -0.19199467E-19 0.66447711E-04-0.23166498E-20 0.13862065E-19 0.34011403E-04
  0.10006380E-03-0.74327949E-21 0.58438269E-20-0.36798254E-18 0.40427817E-04
 -0.63244418E-04 0.48108403E-02-0.29460350E-21-0.26493256E-21-0.35315991E-21
 -0.17597630E-18 0.11910906E-07-0.23512277E-04 0.17816250E-04 0.34800674E-04
 -0.78851721E-23 0.28213698E-21 0.10102505E-22 0.60421410E-22-0.18442328E-19
  0.20293847E-08-0.18642889E-08 0.99923715E-06-0.49707383E-06 0.41628257E-05
     ROW 13
 -0.25742536E-06 0.29198080E-21 0.27168435E-04-0.12174453E-06-0.18088251E-21
  0.56667722E-22 0.40513245E-09-0.34433797E-04 0.38061809E-07-0.34896878E-20
  0.74948977E-23 0.38056621E-22 0.30851331E-02-0.10600025E-10 0.97224065E-05
 -0.60086740E-08-0.14842095E-20 0.73741555E-21 0.11507798E-21-0.17473820E-21
  0.54604253E-14-0.17919431E-04 0.48466638E-12-0.69393294E-06 0.51143510E-09
 -0.15564403E-21-0.21015440E-20-0.37413009E-22 0.16714287E-21-0.42459737E-23
     ROW 14
 -0.54537940E-06-0.47199033E-21-0.65409665E-07 0.10210739E-04 0.40585900E-21
 -0.69618441E-21-0.64348194E-04 0.49398355E-07-0.44280434E-04-0.51778228E-19
 -0.24097598E-20 0.41120750E-21-0.10600025E-10 0.30023232E-02-0.15588669E-07
  0.25295872E-04-0.19673928E-20-0.34459535E-19 0.22187333E-20-0.30272668E-21
 -0.90369461E-05 0.12733352E-11-0.11725742E-04 0.22000312E-08-0.29517756E-05
 -0.11742044E-21-0.64109642E-21-0.55472384E-20 0.19360892E-22-0.32884978E-22
     ROW 15
  0.50281837E-07 0.10368538E-20 0.11122088E-04-0.43458474E-05-0.36597814E-19
 -0.13298287E-21 0.18268595E-07-0.14222272E-04 0.33559266E-04 0.19200132E-20
 -0.14192731E-18 0.11400621E-20 0.97224065E-05-0.15588669E-07 0.30550701E-02
 -0.34801053E-04 0.12717992E-21-0.11411117E-20-0.73681228E-19 0.15713587E-20
  0.82778014E-12-0.14142872E-04 0.39996869E-08 0.82710954E-05 0.64077262E-05
  0.74774193E-22 0.10468852E-21-0.68979448E-21-0.83430754E-20 0.64791474E-22
     ROW 16
  0.42514126E-06-0.11332540E-19-0.11534119E-05 0.26439765E-04-0.32811365E-21
 -0.24152183E-19-0.48140088E-05 0.17818827E-04 0.56436831E-04-0.54532220E-21
  0.23134217E-20-0.18056052E-18-0.60086740E-08 0.25295872E-04-0.34801053E-04
  0.31145256E-02 0.17420775E-22-0.43211229E-22 0.92831816E-21-0.89716608E-19
 -0.18846031E-08 0.41452307E-08-0.13558317E-04 0.10349905E-04 0.23017770E-04
 -0.13365345E-21 0.12673249E-22 0.45485575E-21-0.35057789E-21-0.10363473E-19
     ROW 17
  0.33056453E-21 0.16476907E-07 0.89704312E-21 0.24228928E-21 0.87365318E-05
 -0.24185263E-07-0.59660278E-21-0.50022493E-21 0.14734698E-21 0.10100366E-10
 -0.22496393E-04 0.11910871E-07-0.47912263E-20-0.23085060E-20 0.12886688E-21
 -0.57398681E-22 0.20694147E-02-0.13272444E-11 0.87511319E-05-0.27477325E-08
 -0.14998752E-20-0.42172548E-20 0.69215070E-21-0.14641534E-21-0.49652177E-22
  0.52976567E-16-0.11263011E-04 0.11653343E-12-0.75998703E-06 0.30796330E-09
     ROW 18
 -0.65997099E-21-0.15464310E-06 0.71031245E-22 0.13608735E-21-0.11420740E-07
  0.40657288E-05-0.18914627E-19-0.24117442E-21 0.98903052E-22-0.30108287E-04
  0.12579051E-07-0.23512277E-04 0.75681055E-21-0.35975282E-19-0.69233915E-21
 -0.74096038E-22-0.13272445E-11 0.20658981E-02-0.51435417E-08 0.16330346E-04
  0.42987445E-22-0.11962305E-20-0.17242983E-19 0.13983096E-20 0.27812176E-21
 -0.74750477E-05 0.23581191E-12-0.32413673E-05 0.89538514E-09-0.21861046E-05
     ROW 19
  0.29378832E-21 0.69324292E-07 0.13551508E-19-0.35277579E-21 0.75479679E-05
 -0.18136022E-05-0.34085591E-21-0.21991696E-19 0.29385262E-21 0.60156136E-08
  0.41551169E-05 0.17816249E-04-0.10764608E-21 0.18720454E-20-0.69889971E-19
 -0.49521838E-21 0.87511319E-05-0.51435417E-08 0.21020662E-02-0.20782077E-04
  0.25429659E-22 0.23680396E-21-0.33190669E-21-0.35384600E-19 0.15873104E-20
  0.19358594E-12-0.90797010E-05 0.14862085E-08 0.83917580E-05 0.41907507E-05
     ROW 20
 -0.25075668E-20 0.77907094E-07 0.24106540E-21-0.55738199E-20-0.59633267E-06
  0.12767023E-04-0.23002150E-21-0.41788791E-21-0.21928480E-19-0.39366214E-05
  0.10323112E-04 0.34800674E-04-0.43972085E-23 0.92521694E-22 0.23398456E-20
 -0.90136434E-19-0.27477325E-08 0.16330346E-04-0.20782077E-04 0.21318536E-02
 -0.21569366E-23-0.63564985E-22 0.15886389E-21 0.51059260E-21-0.41448802E-19
 -0.10298151E-08 0.16136884E-08-0.83312195E-05 0.64267832E-05 0.16100179E-04
     ROW 21
  0.89889394E-09-0.12366277E-21 0.12369017E-09-0.66770247E-08 0.28887210E-22
 -0.10567329E-21 0.72763898E-05-0.67835590E-11 0.51807837E-08-0.37140241E-21
 -0.56411243E-22 0.16345420E-21 0.54604286E-14-0.90369461E-05 0.82778014E-12
 -0.18846031E-08-0.13442958E-20 0.26206521E-21 0.22182465E-22-0.22428703E-22
  0.15011973E-02-0.57310430E-16 0.23732214E-05-0.90455217E-13 0.34975715E-09
 -0.55286965E-21 0.27824058E-21 0.42478999E-23 0.36366439E-22-0.72920225E-22
     ROW 22
  0.40309552E-09 0.14175970E-21-0.56788492E-07 0.31646944E-08 0.21556185E-22
 -0.21491697E-21-0.38706396E-11 0.37306157E-05-0.60679721E-08-0.33212533E-21
  0.28278854E-21-0.90769453E-23-0.17919431E-04 0.12733352E-11-0.14142872E-04
  0.41452307E-08-0.25670485E-20-0.13706416E-20 0.35608002E-21-0.69484768E-22
 -0.57304411E-16 0.14731275E-02-0.26025539E-12 0.69215375E-05-0.12408584E-08
 -0.97598539E-21-0.26271214E-20 0.69304273E-21-0.78306089E-22-0.70490937E-22
     ROW 23
  0.35020639E-09-0.10376740E-21 0.64219266E-09-0.44342809E-07 0.44111242E-22
  0.28312266E-21 0.17462879E-05-0.30371186E-08 0.19059906E-05-0.10116360E-19
 -0.61491954E-21 0.26684156E-22 0.48466639E-12-0.11725742E-04 0.39996869E-08
 -0.13558317E-04 0.64112952E-21-0.18889105E-19 0.24628116E-22 0.14168980E-21
  0.23732214E-05-0.26025539E-12 0.14842553E-02-0.19634975E-08 0.10915104E-04
 -0.15597810E-21-0.82334125E-21-0.11191535E-19 0.97810991E-21-0.89622328E-22
     ROW 24
  0.11811971E-09 0.30944298E-22 0.13357340E-08 0.21201622E-07 0.77229145E-20
 -0.30445396E-22-0.61377325E-09 0.48783044E-05-0.89857064E-06-0.16951567E-21
 -0.14184329E-19-0.46287693E-21-0.69393294E-06 0.22000312E-08 0.82710954E-05
  0.10349905E-04-0.48736311E-22 0.10631129E-20-0.35220792E-19 0.52769578E-21
 -0.90455217E-13 0.69215375E-05-0.19634975E-08 0.15071536E-02-0.13190381E-04
 -0.70565366E-22 0.98652387E-22-0.32432526E-21-0.17862436E-19 0.10430084E-20
     ROW 25
  0.11192301E-08-0.26837863E-20 0.52745374E-08 0.27716313E-07 0.58027455E-22
  0.65902888E-20 0.66170555E-07-0.33769958E-06 0.69883737E-05 0.48536207E-22
  0.12028091E-21-0.13985731E-19 0.51143510E-09-0.29517756E-05 0.64077262E-05
  0.23017770E-04-0.12198571E-23-0.60488362E-22 0.13880912E-20-0.47179791E-19
  0.34975715E-09-0.12408584E-08 0.10915104E-04-0.13190381E-04 0.15232837E-02
  0.44160699E-22 0.10444379E-22 0.16812153E-21 0.44349204E-21-0.20243372E-19
     ROW 26
  0.24786000E-22 0.22549835E-09-0.66256573E-22-0.34805420E-22 0.21427253E-11
 -0.15992043E-08 0.11420689E-23-0.16514331E-23-0.13592573E-22 0.32824584E-05
 -0.78749053E-12 0.20293847E-08-0.34730056E-21-0.22834393E-21 0.30906071E-22
 -0.16622811E-21 0.52973534E-16-0.74750477E-05 0.19358594E-12-0.10298151E-08
 -0.24475309E-21-0.12470052E-20-0.21856206E-22-0.11597814E-22-0.47150867E-22
  0.10945570E-02 0.10333817E-17 0.25949299E-05-0.31573244E-13 0.24529427E-09
     ROW 27
 -0.18519412E-21-0.57006071E-10-0.27424947E-21 0.39777460E-22-0.22413894E-07
  0.72952183E-09 0.10599191E-21-0.38152869E-22 0.25121375E-22-0.45834119E-12
  0.18431340E-05-0.18642893E-08-0.16130767E-20-0.46654020E-21 0.10714606E-21
 -0.76811530E-22-0.11263011E-04 0.23581191E-12-0.90797010E-05 0.16136884E-08
  0.30231952E-21-0.32253118E-20-0.74268284E-21-0.46562629E-23-0.76224785E-22
  0.10364738E-17 0.10908846E-02-0.64271540E-13 0.52974549E-05-0.58678838E-09
     ROW 28
  0.10530133E-21 0.23633581E-09 0.66856122E-22 0.19784347E-22 0.18326618E-09
 -0.15842735E-07 0.61031372E-21-0.34126056E-22 0.67305517E-23 0.16410754E-05
 -0.98215211E-09 0.99923715E-06-0.12105454E-22-0.57574355E-20-0.57641303E-21
  0.11649584E-22 0.11653343E-12-0.32413673E-05 0.14862085E-08-0.83312195E-05
  0.76382366E-22 0.79743316E-21-0.97247701E-20-0.22054657E-21 0.94165779E-22
  0.25949299E-05-0.64271541E-13 0.11023896E-02-0.83691037E-09 0.75343103E-05
     ROW 29
  0.60141418E-22-0.13202631E-09-0.42638840E-21 0.12163012E-22 0.35322472E-08
  0.79104203E-08-0.48866826E-22 0.51259803E-20 0.19534584E-21-0.28433602E-09
  0.31968143E-05-0.49707383E-06-0.10961353E-23-0.22281232E-22-0.96432835E-20
 -0.40808013E-21-0.75998703E-06 0.89538514E-09 0.83917580E-05 0.64267832E-05
  0.51066863E-22-0.64566668E-22 0.96514845E-21-0.16141744E-19 0.48520843E-21
 -0.31573244E-13 0.52974549E-05-0.83691037E-09 0.11168970E-02-0.87797128E-05
     ROW 30
 -0.18126440E-21 0.55042289E-09-0.11855619E-21-0.39386282E-20 0.25253849E-08
  0.11059514E-07 0.49052047E-22-0.43380775E-22 0.40990306E-20 0.58186422E-07
 -0.20692112E-06 0.41628257E-05 0.34476185E-23 0.20712055E-22 0.15533651E-21
 -0.84888278E-20 0.30796330E-09-0.21861046E-05 0.41907507E-05 0.16100179E-04
  0.17858078E-22 0.40458085E-23-0.39558873E-22 0.11139953E-20-0.23086243E-19
  0.24529427E-09-0.58678838E-09 0.75343103E-05-0.87797128E-05 0.11262124E-02
 eigenphases
 -0.5770623E-01  0.1089506E-02  0.1093526E-02  0.1100610E-02  0.1113587E-02
  0.1132960E-02  0.1471242E-02  0.1480463E-02  0.1501074E-02  0.1502522E-02
  0.1532633E-02  0.2060602E-02  0.2066990E-02  0.2095554E-02  0.2145423E-02
  0.2994479E-02  0.3039690E-02  0.3086531E-02  0.3134860E-02  0.4623800E-02
  0.4662170E-02  0.4843310E-02  0.7643389E-02  0.7944676E-02  0.8093137E-02
  0.1395765E-01  0.1497919E-01  0.3112577E-01  0.3315904E-01  0.7018477E-01
 eigenphase sum 0.177153E+00  scattering length=  -0.66037
 eps+pi 0.331875E+01  eps+2*pi 0.646034E+01

MaxIter =   7 c.s. =      0.52937969 rmsk=     0.00000000  Abs eps    0.10000000E-05  Rel eps    0.49929872E-02
Time Now =       169.5436  Delta time =        88.8812 End ScatStab
+ Data Record GrnType - 1
+ Data Record ScatContSym - 'A1'

+ Command Scat
+

----------------------------------------------------------------------
Fege - FEGE exchange potential construction program
----------------------------------------------------------------------

 Off set energy for computing fege eta (ecor) =  0.13290000E+02  eV
 Do E =  0.10000000E+01 eV (  0.36749326E-01 AU)
Time Now =       169.5628  Delta time =         0.0192 End Fege

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

Unit for output of final k matrices (iukmat) =    60
Symmetry type of scattering solution (symtps) = A1    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =   10
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 =   F
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
Use fixed asymptotic polarization =  0.44134000E+02  au
Number of integration regions used =    67
Number of partial waves (np) =    39
Number of asymptotic solutions on the right (NAsymR) =    21
Number of asymptotic solutions on the left (NAsymL) =    21
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =    21
Maximum in the asymptotic region (lpasym) =   14
Number of partial waves in the asymptotic region (npasym) =   36
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =  225
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) =   15
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   14
Higest l used in the asymptotic potential (lpzb) =   28
Maximum L used in the homogeneous solution (LMaxHomo) =   14
Number of partial waves in the homogeneous solution (npHomo) =   36
Time Now =       169.5714  Delta time =         0.0086 Energy independent setup

Compute solution for E =    1.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.44134000E+02 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   0  1/r^n n =   4  StPot(RMax) = -0.71054274E-14 Asymp Coef   =  -0.67338124E-09 (eV Angs^(n))
 i =  2  lval =   1  1/r^n n =   2  StPot(RMax) =  0.00000000E+00 Asymp Moment =   0.00000000E+00 (e Angs^(n-1))
 i =  3  lval =   2  1/r^n n =   3  StPot(RMax) =  0.20816682E-16 Asymp Moment =  -0.70959517E-14 (e Angs^(n-1))
 i =  4  lval =   2  1/r^n n =   3  StPot(RMax) = -0.84293969E-05 Asymp Moment =   0.28733971E-02 (e Angs^(n-1))
For potential     2
 i =  1  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403438E-15
 i =  2  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403621E-15
 i =  3  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403958E-15
 i =  4  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29404399E-15
For potential     3
 i =  1  lvals =   6   8  stpote =  0.38328994E-04  second term =  0.51185855E-04
 i =  2  lvals =   5   5  stpote =  0.21335400E-18  second term =  0.00000000E+00
 i =  3  lvals =   6   6  stpote = -0.13451988E-18  second term =  0.00000000E+00
 i =  4  lvals =   6   6  stpote = -0.81775788E-11  second term =  0.00000000E+00
Number of asymptotic regions =      17
Final point in integration =   0.15494516E+03 Angstroms
Last asymptotic region is special region for dipole potential
Time Now =       175.4681  Delta time =         5.8967 End SolveHomo
      Final T matrix
     ROW  1
  (-0.49804831E+00, 0.54410770E+00) (-0.32301417E-16, 0.11219863E-16)
  ( 0.21959062E-03,-0.21505789E-03) (-0.63650972E-18,-0.69514860E-19)
  (-0.67262795E-03, 0.71220292E-03) (-0.79419954E-03, 0.84161911E-03)
  ( 0.62781411E-20,-0.70856038E-20) (-0.47910426E-19, 0.50761104E-19)
  ( 0.44912305E-05,-0.44334015E-05) (-0.16883258E-05, 0.16688019E-05)
  ( 0.10899863E-21,-0.40385903E-22) ( 0.63805909E-20,-0.68898546E-20)
  (-0.42225288E-07, 0.26611816E-07) (-0.27711026E-07, 0.17469344E-07)
  (-0.52090385E-07, 0.32852998E-07) (-0.16611430E-22, 0.18035543E-22)
  ( 0.23993095E-22,-0.28232406E-22) (-0.14046520E-21, 0.14497621E-21)
  ( 0.80809925E-10,-0.31231266E-10) ( 0.67855534E-10,-0.26269424E-10)
  (-0.47787045E-10, 0.18335116E-10)
     ROW  2
  (-0.11589777E-16, 0.57399558E-17) (-0.56614167E-01, 0.32274073E-02)
  (-0.33148171E-17,-0.95959108E-18) (-0.32523296E-02, 0.76461529E-04)
  (-0.99973642E-20, 0.29115509E-19) ( 0.15776393E-18, 0.19871151E-19)
  ( 0.11169673E-03,-0.43941820E-05) ( 0.18263675E-03,-0.99608622E-05)
  ( 0.34718290E-20, 0.51152522E-21) (-0.36289907E-19, 0.34144624E-20)
  (-0.73997272E-06,-0.73396887E-08) (-0.45263769E-07,-0.81296263E-07)
  (-0.33705126E-22, 0.42517052E-23) ( 0.46818913E-22,-0.23145753E-22)
  ( 0.27881361E-20,-0.24086698E-21) ( 0.79177713E-09, 0.57233339E-09)
  ( 0.10285619E-08, 0.81250324E-09) ( 0.96828082E-09, 0.11999799E-08)
  (-0.41216345E-22, 0.29319124E-23) (-0.16986500E-21, 0.10630182E-22)
  (-0.12169074E-20, 0.78009914E-22)
     ROW  3
  ( 0.21959065E-03,-0.21505786E-03) (-0.14882867E-17, 0.33257809E-17)
  ( 0.54658459E-01, 0.29984351E-02) (-0.48550665E-17, 0.16277249E-18)
  (-0.99725726E-03,-0.69580630E-04) ( 0.89054797E-03, 0.61668502E-04)
  ( 0.10669969E-19, 0.16905016E-19) ( 0.37897879E-19, 0.84758917E-21)
  ( 0.28714487E-04, 0.17467418E-05) ( 0.76091168E-04, 0.46843445E-05)
  (-0.26479606E-21, 0.13364700E-22) (-0.49723333E-20,-0.42040569E-21)
  (-0.36929325E-07,-0.15782291E-07) (-0.15378471E-06,-0.12059353E-07)
  ( 0.11184537E-06, 0.20817874E-07) ( 0.74491752E-22, 0.40671745E-23)
  (-0.93194694E-22,-0.61781887E-23) (-0.11563948E-20,-0.62218690E-22)
  ( 0.15920941E-09, 0.10106566E-09) ( 0.27333116E-09, 0.14643366E-09)
  ( 0.65949783E-09, 0.38460914E-09)
     ROW  4
  (-0.12538075E-19, 0.10091183E-17) (-0.32510552E-02, 0.76681517E-04)
  (-0.25096870E-17,-0.87044592E-19) ( 0.33147259E-01, 0.11107898E-02)
  (-0.67872076E-20, 0.52513703E-20) (-0.14305294E-17,-0.68645517E-19)
  (-0.32611479E-03,-0.13643934E-04) ( 0.33219553E-03, 0.13068207E-04)
  ( 0.20713135E-20, 0.16033857E-21) ( 0.20648470E-19, 0.52192444E-21)
  ( 0.95030060E-05, 0.34552838E-06) ( 0.28941327E-04, 0.10788241E-05)
  (-0.50752023E-22,-0.24468212E-23) (-0.16697003E-21, 0.22670959E-23)
  ( 0.59623343E-20, 0.16348251E-21) (-0.71459927E-08,-0.20640261E-08)
  (-0.45393347E-07,-0.25598606E-08) ( 0.33991658E-07, 0.41840855E-08)
  (-0.29667564E-22,-0.81524034E-24) ( 0.93518188E-23, 0.18259460E-26)
  (-0.18855609E-20,-0.59585381E-22)
     ROW  5
  (-0.67262759E-03, 0.71220288E-03) ( 0.45068117E-19, 0.13435050E-19)
  (-0.99725727E-03,-0.69580629E-04) ( 0.92293822E-20, 0.24498809E-20)
  ( 0.14881813E-01, 0.22361115E-03) ( 0.33595701E-03, 0.10344471E-04)
  (-0.20002206E-18,-0.42814683E-20) (-0.30140734E-21,-0.27046096E-21)
  (-0.14160622E-03,-0.28418241E-05) (-0.23378927E-04,-0.50117602E-06)
  (-0.38862934E-19,-0.67443092E-21) (-0.95976029E-22,-0.10429643E-22)
  ( 0.13188751E-04, 0.22660157E-06) ( 0.40660951E-05, 0.73422488E-07)
  ( 0.34591325E-06, 0.10947397E-07) ( 0.14065174E-21, 0.17327818E-23)
  ( 0.10796614E-20, 0.19329981E-22) ( 0.16535769E-22, 0.36716801E-23)
  (-0.20586503E-07,-0.85151833E-09) ( 0.59808425E-09,-0.36501590E-09)
  (-0.13889283E-08,-0.15483566E-09)
     ROW  6
  (-0.79419906E-03, 0.84161916E-03) ( 0.77953956E-19,-0.20760490E-19)
  ( 0.89054798E-03, 0.61668500E-04) (-0.14628085E-17,-0.63253569E-19)
  ( 0.33595701E-03, 0.10344471E-04) ( 0.15134399E-01, 0.23138565E-03)
  ( 0.23485941E-20, 0.13405180E-20) (-0.68969124E-18,-0.16433002E-19)
  (-0.12346020E-03,-0.24595902E-05) ( 0.13302227E-03, 0.27105732E-05)
  ( 0.39238461E-22, 0.21902319E-22) ( 0.38394326E-22,-0.12955022E-21)
  ( 0.32359740E-07, 0.71075606E-08) ( 0.39064759E-05, 0.66810589E-07)
  ( 0.13526426E-04, 0.24048039E-06) ( 0.20667729E-23, 0.22097840E-24)
  (-0.42661395E-22, 0.27304177E-24) ( 0.41087878E-20, 0.60409750E-22)
  (-0.16355722E-08,-0.37173476E-09) (-0.16489437E-07,-0.56857245E-09)
  ( 0.12415939E-07, 0.96733109E-09)
     ROW  7
  ( 0.81098755E-19,-0.16489953E-18) ( 0.11170480E-03,-0.44892703E-05)
  ( 0.18698900E-19,-0.54052661E-20) (-0.32611475E-03,-0.13643875E-04)
  (-0.21721194E-18,-0.47258449E-20) ( 0.19955060E-20, 0.33887558E-21)
  ( 0.76738761E-02, 0.59035438E-04) ( 0.14718905E-03, 0.22323376E-05)
  (-0.18597004E-18,-0.21953759E-20) ( 0.36171823E-22,-0.68786249E-22)
  (-0.51075744E-04,-0.55859722E-06) (-0.15056141E-04,-0.16440321E-06)
  (-0.15886263E-21,-0.13821358E-23) (-0.27188146E-19,-0.26044230E-21)
  ( 0.22009457E-21, 0.29108194E-24) ( 0.51953653E-05, 0.48223526E-07)
  ( 0.33431376E-05, 0.31339501E-07) ( 0.24339665E-06, 0.33100985E-08)
  (-0.66887875E-22,-0.79676797E-24) ( 0.21958010E-20, 0.19138389E-22)
  (-0.39607179E-23, 0.10124745E-23)
     ROW  8
  (-0.52543469E-19, 0.66319041E-19) ( 0.18262157E-03,-0.99674043E-05)
  ( 0.28066540E-19, 0.86151582E-21) ( 0.33219556E-03, 0.13068161E-04)
  ( 0.64044615E-22,-0.38408676E-22) (-0.70594881E-18,-0.16739435E-19)
  ( 0.14718905E-03, 0.22323330E-05) ( 0.80755517E-02, 0.65392299E-04)
  ( 0.11492514E-20, 0.49574527E-22) (-0.35048918E-18,-0.46273971E-20)
  (-0.56902628E-04,-0.63305812E-06) ( 0.67459360E-04, 0.76058927E-06)
  ( 0.15972061E-22, 0.15467708E-24) ( 0.33548967E-21, 0.96452500E-23)
  (-0.19084749E-19,-0.22195418E-21) ( 0.91847916E-08, 0.15744914E-08)
  ( 0.18820115E-05, 0.17575203E-07) ( 0.72800078E-05, 0.72040503E-07)
  (-0.17054381E-22,-0.18331277E-24) (-0.25379136E-22, 0.43141448E-24)
  ( 0.20389861E-20, 0.15238601E-22)
     ROW  9
  ( 0.44902076E-05,-0.44316540E-05) ( 0.25369712E-20,-0.87497387E-21)
  ( 0.28713511E-04, 0.17462797E-05) ( 0.22236688E-20, 0.29683900E-21)
  (-0.14160615E-03,-0.28418379E-05) (-0.12346011E-03,-0.24596076E-05)
  (-0.19254547E-18,-0.23366912E-20) (-0.84229399E-22, 0.37459512E-22)
  ( 0.46272553E-02, 0.21454654E-04) ( 0.76834947E-04, 0.71599663E-06)
  (-0.10861924E-18,-0.81454620E-21) ( 0.13706918E-21,-0.13351119E-22)
  (-0.16813723E-04,-0.11519183E-06) (-0.15252760E-04,-0.10605785E-06)
  (-0.97059263E-05,-0.64779840E-07) ( 0.61190502E-23, 0.29314354E-24)
  (-0.16200385E-19,-0.99358573E-22) ( 0.99793781E-22,-0.88631880E-25)
  ( 0.24649180E-05, 0.14413059E-07) ( 0.24569412E-05, 0.14254418E-07)
  ( 0.16703100E-06, 0.12197187E-08)
     ROW 10
  (-0.16880893E-05, 0.16681945E-05) (-0.34951914E-19, 0.43537171E-20)
  ( 0.76088528E-04, 0.46830980E-05) ( 0.23146937E-19, 0.71852628E-21)
  (-0.23378962E-04,-0.50117196E-06) ( 0.13302224E-03, 0.27105796E-05)
  (-0.31954552E-21,-0.68542565E-22) (-0.34077426E-18,-0.45007486E-20)
  ( 0.76834947E-04, 0.71599663E-06) ( 0.48323200E-02, 0.23384289E-04)
  ( 0.41215137E-21, 0.93396363E-23) (-0.17784248E-18,-0.14414859E-20)
  (-0.10652125E-07,-0.18105995E-08) (-0.29886643E-04,-0.20638058E-06)
  ( 0.39272419E-04, 0.27398723E-06) ( 0.65029117E-22, 0.40123504E-24)
  ( 0.36970633E-22, 0.19908754E-23) (-0.12090671E-19,-0.85007484E-22)
  ( 0.29865621E-08, 0.47045388E-09) ( 0.10118610E-05, 0.57550613E-08)
  ( 0.42927475E-05, 0.26417092E-07)
     ROW 11
  ( 0.21907901E-21,-0.18864607E-21) (-0.73485169E-06, 0.16431284E-08)
  ( 0.97886930E-22, 0.88625636E-23) ( 0.95016935E-05, 0.34560494E-06)
  (-0.36449098E-19,-0.65083063E-21) ( 0.15592920E-21, 0.65082109E-22)
  (-0.51075730E-04,-0.55858724E-06) (-0.56902634E-04,-0.63305432E-06)
  (-0.10641260E-18,-0.79845162E-21) ( 0.63025334E-22, 0.76661148E-23)
  ( 0.30212153E-02, 0.91359082E-05) ( 0.43992527E-04, 0.26740623E-06)
  (-0.13537637E-21, 0.37592113E-24) (-0.55649480E-19,-0.28118047E-21)
  (-0.12368168E-21,-0.35137650E-23) (-0.12576537E-04,-0.56898565E-07)
  (-0.20328448E-05,-0.10387331E-07) (-0.64532653E-05,-0.28710496E-07)
  ( 0.83263635E-23, 0.23586444E-24) (-0.88985586E-20,-0.37266153E-22)
  ( 0.17288397E-22,-0.25183903E-24)
     ROW 12
  ( 0.43128485E-20,-0.47766245E-20) (-0.63085397E-07,-0.91295155E-07)
  (-0.53845261E-20,-0.48953607E-21) ( 0.28938118E-04, 0.10773440E-05)
  (-0.54185392E-21,-0.77610773E-23) (-0.56241258E-20,-0.23903069E-21)
  (-0.15056118E-04,-0.16440035E-06) ( 0.67459353E-04, 0.76057952E-06)
  ( 0.17501343E-21,-0.11892629E-22) (-0.17529937E-18,-0.14226613E-20)
  ( 0.43992527E-04, 0.26740623E-06) ( 0.31235005E-02, 0.97648336E-05)
  ( 0.68074711E-22, 0.33877836E-24) (-0.38938629E-21,-0.70673385E-24)
  (-0.88453669E-19,-0.47457410E-21) (-0.46130195E-08,-0.73190572E-09)
  (-0.17175359E-04,-0.78918946E-07) ( 0.25084988E-04, 0.11655674E-06)
  (-0.13373238E-22,-0.52936490E-25) ( 0.54970020E-22, 0.67009283E-24)
  (-0.10160841E-19,-0.45894457E-22)
     ROW 13
  (-0.42205726E-07, 0.26608551E-07) ( 0.12420519E-21,-0.69120758E-23)
  (-0.37017861E-07,-0.15894011E-07) (-0.73022214E-21,-0.21617309E-22)
  ( 0.13188744E-04, 0.22660059E-06) ( 0.32351686E-07, 0.71077318E-08)
  ( 0.32299059E-21, 0.38702015E-23) (-0.42989297E-22,-0.62028346E-24)
  (-0.16813723E-04,-0.11519181E-06) (-0.10652135E-07,-0.18105898E-08)
  (-0.49312372E-22, 0.77553367E-24) ( 0.13306860E-21, 0.66197789E-24)
  ( 0.21063952E-02, 0.44375104E-05) ( 0.46005722E-05, 0.19671304E-07)
  ( 0.18669873E-08, 0.30306740E-09) ( 0.11640065E-20, 0.41732416E-23)
  ( 0.48199491E-22, 0.33246562E-24) ( 0.68163965E-22, 0.25210426E-24)
  (-0.10412024E-04,-0.33367790E-07) (-0.31407031E-06,-0.10813766E-08)
  (-0.16906760E-09,-0.27480488E-10)
     ROW 14
  (-0.27703866E-07, 0.17471256E-07) ( 0.62679643E-22,-0.25553608E-22)
  (-0.15376787E-06,-0.12053753E-07) ( 0.48440921E-21, 0.12240224E-22)
  ( 0.40660904E-05, 0.73422000E-07) ( 0.39064706E-05, 0.66810590E-07)
  (-0.22166232E-19,-0.21141614E-21) ( 0.21808613E-21, 0.92455449E-23)
  (-0.15252759E-04,-0.10605782E-06) (-0.29886643E-04,-0.20638058E-06)
  (-0.56351007E-19,-0.28496996E-21) (-0.66967489E-22, 0.97819072E-24)
  ( 0.46005722E-05, 0.19671304E-07) ( 0.20824160E-02, 0.43384851E-05)
  ( 0.26958157E-04, 0.11264982E-06) ( 0.15821930E-21, 0.10271440E-23)
  (-0.29117737E-19,-0.10396502E-21) ( 0.32551549E-22,-0.61117140E-24)
  (-0.86669929E-05,-0.27573263E-07) ( 0.26817357E-05, 0.81230455E-08)
  (-0.44306751E-05,-0.13864098E-07)
     ROW 15
  (-0.52077576E-07, 0.32805641E-07) ( 0.40980469E-20,-0.46621680E-21)
  ( 0.11186685E-06, 0.20850093E-07) ( 0.11056670E-19, 0.29187839E-21)
  ( 0.34590497E-06, 0.10947649E-07) ( 0.13526416E-04, 0.24047925E-06)
  ( 0.17836824E-21,-0.12080921E-23) (-0.18566812E-19,-0.21420266E-21)
  (-0.97059262E-05,-0.64779834E-07) ( 0.39272419E-04, 0.27398710E-06)
  ( 0.32487789E-22,-0.27190422E-23) (-0.89396555E-19,-0.47932021E-21)
  ( 0.18669873E-08, 0.30306740E-09) ( 0.26958157E-04, 0.11264982E-06)
  ( 0.21361201E-02, 0.45659857E-05) ( 0.38138402E-22, 0.14393950E-24)
  (-0.30478717E-21,-0.77128050E-24) (-0.40413305E-19,-0.15122196E-21)
  (-0.19854176E-08,-0.30585037E-09) (-0.10557009E-04,-0.33981287E-07)
  ( 0.17152675E-04, 0.55918306E-07)
     ROW 16
  (-0.33838105E-22, 0.38737805E-22) ( 0.80174456E-09, 0.55615395E-09)
  ( 0.19017715E-21, 0.46153429E-23) (-0.71423635E-08,-0.20629736E-08)
  ( 0.18858523E-21, 0.23936354E-23) (-0.18660223E-21,-0.29926946E-23)
  ( 0.51953652E-05, 0.48223539E-07) ( 0.91848022E-08, 0.15744870E-08)
  ( 0.57793352E-22, 0.65567462E-24) (-0.16408314E-23,-0.19191837E-25)
  (-0.12576537E-04,-0.56898565E-07) (-0.46130195E-08,-0.73190572E-09)
  (-0.37576269E-21,-0.13329875E-23) ( 0.85783761E-23, 0.47468716E-24)
  ( 0.17311110E-21, 0.62751124E-24) ( 0.14802057E-02, 0.21912731E-05)
  ( 0.46198540E-05, 0.13832193E-07) ( 0.10895628E-08, 0.16871406E-09)
  (-0.84849883E-21,-0.21767090E-23) (-0.54866851E-22,-0.83617769E-25)
  ( 0.39036805E-22, 0.10370915E-24)
     ROW 17
  ( 0.13538140E-21,-0.15713498E-21) ( 0.10345797E-08, 0.79537373E-09)
  ( 0.10068302E-21,-0.42359941E-23) (-0.45389545E-07,-0.25578353E-08)
  ( 0.19804566E-20, 0.33611786E-22) ( 0.15388745E-21, 0.38138751E-23)
  ( 0.33431376E-05, 0.31339516E-07) ( 0.18820115E-05, 0.17575206E-07)
  (-0.15639322E-19,-0.96072317E-22) ( 0.10836000E-21, 0.24131647E-23)
  (-0.20328448E-05,-0.10387331E-07) (-0.17175359E-04,-0.78918946E-07)
  (-0.41006192E-22, 0.18680357E-25) (-0.27347736E-19,-0.97644694E-22)
  ( 0.47668883E-23, 0.35721958E-24) ( 0.46198540E-05, 0.13832193E-07)
  ( 0.14956024E-02, 0.22375337E-05) ( 0.17417096E-04, 0.52149346E-07)
  (-0.85644142E-22,-0.77981691E-25) (-0.13464879E-19,-0.35207637E-22)
  ( 0.40245629E-22,-0.62958354E-25)
     ROW 18
  (-0.84544381E-21, 0.93908201E-21) ( 0.95469430E-09, 0.11197571E-08)
  (-0.40402970E-21,-0.55309958E-22) ( 0.33990147E-07, 0.41805095E-08)
  (-0.81189123E-22, 0.34203822E-23) ( 0.54619333E-20, 0.84615257E-22)
  ( 0.24339669E-06, 0.33100999E-08) ( 0.72800080E-05, 0.72040260E-07)
  (-0.95193725E-22,-0.13729582E-23) (-0.11570476E-19,-0.81539636E-22)
  (-0.64532653E-05,-0.28710496E-07) ( 0.25084988E-04, 0.11655674E-06)
  (-0.11061289E-21,-0.39802807E-24) ( 0.10520708E-21,-0.37070209E-24)
  (-0.41671987E-19,-0.15574015E-21) ( 0.10895628E-08, 0.16871406E-09)
  ( 0.17417096E-04, 0.52149346E-07) ( 0.15255168E-02, 0.23284354E-05)
  (-0.20807560E-22,-0.56368403E-25) ( 0.20239156E-22, 0.11940615E-24)
  (-0.19942557E-19,-0.54053673E-22)
     ROW 19
  ( 0.80787540E-10,-0.31231514E-10) (-0.26267281E-23, 0.20127803E-23)
  ( 0.15918233E-09, 0.10107813E-09) (-0.38525024E-21,-0.10578177E-22)
  (-0.20586491E-07,-0.85151305E-09) (-0.16355573E-08,-0.37173126E-09)
  ( 0.35239847E-22, 0.12768229E-24) (-0.93607946E-22,-0.97797480E-24)
  ( 0.24649180E-05, 0.14413059E-07) ( 0.29865621E-08, 0.47045386E-09)
  (-0.51398675E-22,-0.25972420E-25) ( 0.65085313E-22, 0.24937471E-24)
  (-0.10412024E-04,-0.33367790E-07) (-0.86669929E-05,-0.27573263E-07)
  (-0.19854176E-08,-0.30585037E-09) ( 0.26536708E-21, 0.66743536E-24)
  ( 0.41980189E-22, 0.26191195E-24) (-0.11776022E-21,-0.30634772E-24)
  ( 0.10899088E-02, 0.11881285E-05) ( 0.39602124E-05, 0.87127480E-08)
  ( 0.58491765E-09, 0.88330982E-10)
     ROW 20
  ( 0.67845085E-10,-0.26266290E-10) (-0.94965809E-22, 0.28265703E-23)
  ( 0.27329282E-09, 0.14640627E-09) (-0.10615711E-21,-0.36266852E-23)
  ( 0.59809566E-09,-0.36501222E-09) (-0.16489425E-07,-0.56856883E-09)
  ( 0.13287349E-20, 0.11615197E-22) ( 0.87407313E-22, 0.13650163E-23)
  ( 0.24569412E-05, 0.14254418E-07) ( 0.10118610E-05, 0.57550613E-08)
  (-0.95480341E-20,-0.39923676E-22) (-0.56041839E-22, 0.20687459E-24)
  (-0.31407031E-06,-0.10813766E-08) ( 0.26817357E-05, 0.81230455E-08)
  (-0.10557009E-04,-0.33981287E-07) (-0.32902906E-22,-0.17674516E-25)
  (-0.13737357E-19,-0.35917175E-22) ( 0.60288592E-22, 0.20198303E-24)
  ( 0.39602124E-05, 0.87127480E-08) ( 0.11098741E-02, 0.12321437E-05)
  ( 0.11742028E-04, 0.26041671E-07)
     ROW 21
  (-0.47703382E-10, 0.18149340E-10) (-0.53958465E-21, 0.20887126E-22)
  ( 0.65939353E-09, 0.38455792E-09) (-0.36120801E-20,-0.11210075E-21)
  (-0.13889342E-08,-0.15483499E-09) ( 0.12415929E-07, 0.96732648E-09)
  (-0.14757350E-22, 0.16660978E-23) ( 0.35323187E-20, 0.28576428E-22)
  ( 0.16703100E-06, 0.12197187E-08) ( 0.42927475E-05, 0.26417092E-07)
  (-0.32368273E-22,-0.55015325E-24) (-0.99396275E-20,-0.44947839E-22)
  (-0.16906760E-09,-0.27480488E-10) (-0.44306751E-05,-0.13864098E-07)
  ( 0.17152675E-04, 0.55918306E-07) (-0.20733504E-22,-0.53714364E-25)
  ( 0.33628172E-24,-0.18200381E-24) (-0.20361953E-19,-0.55114290E-22)
  ( 0.58491765E-09, 0.88330982E-10) ( 0.11742028E-04, 0.26041671E-07)
  ( 0.11274723E-02, 0.12717738E-05)
 eigenphases
 -0.8295656E+00 -0.5685517E-01  0.1088802E-02  0.1104544E-02  0.1133294E-02
  0.1478098E-02  0.1489120E-02  0.1533395E-02  0.2070255E-02  0.2106815E-02
  0.2147335E-02  0.3003648E-02  0.3139650E-02  0.4598175E-02  0.4857508E-02
  0.7619782E-02  0.8124773E-02  0.1460839E-01  0.1537484E-01  0.3329799E-01
  0.5481306E-01
 eigenphase sum-0.722831E+00  scattering length=   3.25367
 eps+pi 0.241876E+01  eps+2*pi 0.556035E+01

MaxIter =   8 c.s. =     26.43372825 rmsk=     0.00000000  Abs eps    0.10000000E-05  Rel eps    0.51875194E-02
Time Now =       297.5683  Delta time =       122.1001 End ScatStab
+ Data Record ScatContSym - 'E'

+ Command Scat
+

----------------------------------------------------------------------
Fege - FEGE exchange potential construction program
----------------------------------------------------------------------

 Off set energy for computing fege eta (ecor) =  0.13290000E+02  eV
 Do E =  0.10000000E+01 eV (  0.36749326E-01 AU)
Time Now =       297.5872  Delta time =         0.0189 End Fege

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

Unit for output of final k matrices (iukmat) =    60
Symmetry type of scattering solution (symtps) = E     1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =   10
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 =   F
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
Use fixed asymptotic polarization =  0.44134000E+02  au
Number of integration regions used =    67
Number of partial waves (np) =    62
Number of asymptotic solutions on the right (NAsymR) =    30
Number of asymptotic solutions on the left (NAsymL) =    30
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =    30
Maximum in the asymptotic region (lpasym) =   14
Number of partial waves in the asymptotic region (npasym) =   56
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =  225
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) =   15
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   14
Higest l used in the asymptotic potential (lpzb) =   28
Maximum L used in the homogeneous solution (LMaxHomo) =   14
Number of partial waves in the homogeneous solution (npHomo) =   56
Time Now =       297.5958  Delta time =         0.0086 Energy independent setup

Compute solution for E =    1.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.44134000E+02 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   0  1/r^n n =   4  StPot(RMax) = -0.71054274E-14 Asymp Coef   =  -0.67338124E-09 (eV Angs^(n))
 i =  2  lval =   1  1/r^n n =   2  StPot(RMax) =  0.00000000E+00 Asymp Moment =   0.00000000E+00 (e Angs^(n-1))
 i =  3  lval =   2  1/r^n n =   3  StPot(RMax) =  0.20816682E-16 Asymp Moment =  -0.70959517E-14 (e Angs^(n-1))
 i =  4  lval =   2  1/r^n n =   3  StPot(RMax) = -0.84293969E-05 Asymp Moment =   0.28733971E-02 (e Angs^(n-1))
For potential     2
 i =  1  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403438E-15
 i =  2  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403621E-15
 i =  3  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29403958E-15
 i =  4  exps = -0.58068273E+02 -0.20000000E+01  stpote = -0.29404399E-15
For potential     3
 i =  1  lvals =   6   8  stpote =  0.38328994E-04  second term =  0.51185855E-04
 i =  2  lvals =   5   5  stpote =  0.21335400E-18  second term =  0.00000000E+00
 i =  3  lvals =   6   6  stpote = -0.13451988E-18  second term =  0.00000000E+00
 i =  4  lvals =   6   6  stpote = -0.81775788E-11  second term =  0.00000000E+00
Number of asymptotic regions =      17
Final point in integration =   0.15494516E+03 Angstroms
Last asymptotic region is special region for dipole potential
Time Now =       307.1858  Delta time =         9.5900 End SolveHomo
      Final T matrix
     ROW  1
  (-0.57449635E-01, 0.33234563E-02) (-0.50634959E-17, 0.32142141E-18)
  (-0.26516115E-02, 0.65193721E-04) ( 0.21323035E-02,-0.52153776E-04)
  ( 0.48971927E-19,-0.64511254E-22) (-0.95982196E-20,-0.17897154E-19)
  ( 0.14995166E-03,-0.79532758E-05) (-0.63937872E-05, 0.16873693E-05)
  ( 0.15259859E-03,-0.73560853E-05) ( 0.30190110E-21,-0.18059683E-21)
  ( 0.15481879E-21, 0.25304813E-21) (-0.15410968E-19, 0.12622144E-20)
  (-0.25038641E-06,-0.58538611E-07) (-0.55646516E-06, 0.35953488E-07)
  ( 0.56795596E-07,-0.36736689E-07) ( 0.41877710E-06, 0.44360362E-07)
  ( 0.76860913E-22,-0.10090887E-22) (-0.42466388E-21, 0.38605505E-22)
  ( 0.42914605E-21,-0.71560896E-22) ( 0.17171155E-20,-0.57175493E-22)
  ( 0.97592947E-09, 0.10307832E-08) ( 0.38925473E-09, 0.11434918E-09)
  ( 0.38441082E-09, 0.43711585E-09) ( 0.91400904E-10,-0.12750559E-09)
  ( 0.11723120E-08, 0.10724242E-08) (-0.17857178E-21, 0.11007204E-22)
  (-0.16651454E-21, 0.11550737E-22) ( 0.50954451E-22,-0.35317308E-23)
  ( 0.30751004E-22,-0.24429020E-23) ( 0.31315794E-21,-0.13961941E-22)
     ROW  2
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  (-0.90644567E-19, 0.24395039E-19) (-0.30211295E-17,-0.30796238E-18)
  ( 0.60594626E-03, 0.51090492E-04) ( 0.27193463E-03, 0.22991011E-04)
  (-0.34034728E-21,-0.45843734E-21) ( 0.35269088E-20,-0.43959520E-21)
  ( 0.12152478E-18, 0.72900939E-20) ( 0.32963788E-04, 0.24481205E-05)
  (-0.13500134E-04,-0.10491817E-05) ( 0.66092394E-04, 0.50157441E-05)
  (-0.18148979E-21,-0.10584408E-21) (-0.83483952E-21,-0.82151432E-22)
  (-0.15555063E-21,-0.36985551E-22) (-0.94325902E-20,-0.77043143E-21)
  ( 0.15992746E-07, 0.67835764E-08) (-0.15394465E-06,-0.12594585E-07)
  ( 0.68672349E-07, 0.10203760E-07) ( 0.77216405E-07, 0.10760677E-07)
  (-0.99624485E-22,-0.67380347E-23) ( 0.62175314E-22, 0.46045107E-23)
  (-0.11893519E-21,-0.84147572E-23) (-0.38815831E-21,-0.25691106E-22)
  (-0.13903790E-22, 0.18002804E-23) ( 0.21683324E-09, 0.12511236E-09)
  (-0.53652955E-10,-0.43254267E-10) ( 0.22832670E-09, 0.13273264E-09)
  (-0.12627618E-09,-0.80071636E-10) ( 0.52616611E-09, 0.32539153E-09)
     ROW  3
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  ( 0.32192043E-01, 0.10454955E-02) (-0.93813610E-03,-0.65956772E-04)
  (-0.74374032E-18,-0.32980672E-19) ( 0.36492453E-19, 0.10852684E-20)
  ( 0.51267290E-05, 0.34370507E-07) (-0.36693622E-03,-0.14827090E-04)
  ( 0.77316943E-04, 0.25742165E-05) (-0.50790037E-21,-0.18037310E-22)
  (-0.51833854E-19,-0.17297899E-20) (-0.15226432E-20,-0.50298414E-22)
  ( 0.27146935E-04, 0.97222174E-06) (-0.64976810E-07,-0.14213578E-07)
  ( 0.11112826E-04, 0.40417298E-06) (-0.11543013E-05,-0.69368186E-07)
  ( 0.56850894E-22,-0.22931115E-23) ( 0.42365705E-22, 0.34073307E-23)
  ( 0.89478745E-20, 0.30643390E-21) (-0.54567252E-22,-0.12416407E-22)
  ( 0.11952393E-09, 0.46180399E-10) (-0.56661355E-07,-0.39291553E-08)
  ( 0.63405354E-09, 0.23626582E-09) ( 0.13987052E-08,-0.17743019E-08)
  ( 0.52465401E-08, 0.85823417E-09) ( 0.16655772E-24, 0.58029346E-24)
  (-0.30712522E-22,-0.77342902E-24) ( 0.56815154E-23,-0.21246283E-24)
  ( 0.24686734E-21, 0.62888664E-23) (-0.28475839E-22,-0.52666763E-24)
     ROW  4
  ( 0.21323096E-02,-0.52154913E-04) (-0.34027506E-17,-0.23923603E-18)
  (-0.93813601E-03,-0.65954850E-04) ( 0.31909647E-01, 0.10248489E-02)
  (-0.24419548E-19,-0.14019542E-19) (-0.12122948E-17,-0.34289835E-19)
  (-0.23632463E-03,-0.91090423E-05) ( 0.19124997E-03, 0.78904139E-05)
  ( 0.19124829E-03, 0.78580389E-05) ( 0.12901239E-20, 0.60921017E-23)
  (-0.10257531E-20,-0.75247298E-22) ( 0.19639324E-19, 0.31502193E-21)
  (-0.12292717E-06,-0.37017682E-07) ( 0.10201497E-04, 0.36282027E-06)
  (-0.43432156E-05,-0.15957623E-06) ( 0.26417973E-04, 0.94397727E-06)
  ( 0.25691856E-21, 0.85832211E-23) (-0.38316678E-22,-0.36078123E-23)
  (-0.11479570E-20,-0.48465826E-22) ( 0.30137676E-20, 0.86126389E-22)
  (-0.66079044E-08,-0.20323967E-08) ( 0.31320448E-08, 0.93618480E-09)
  (-0.44280655E-07,-0.20069509E-08) ( 0.21144693E-07, 0.17061477E-08)
  ( 0.27625859E-07, 0.27300370E-08) (-0.17987989E-22,-0.10754623E-23)
  ( 0.21222767E-23,-0.40971253E-24) ( 0.11566697E-21, 0.41057787E-23)
  ( 0.60974850E-23, 0.10125619E-23) (-0.10052342E-20,-0.31700463E-22)
     ROW  5
  (-0.16664065E-19, 0.15591498E-19) ( 0.60594626E-03, 0.51090482E-04)
  (-0.71812825E-18,-0.28698637E-19) (-0.25938285E-20,-0.20903183E-20)
  ( 0.14074196E-01, 0.19860128E-03) (-0.31679965E-03,-0.90080035E-05)
  (-0.65612466E-20,-0.18549820E-21) (-0.56284298E-18,-0.11989498E-19)
  ( 0.36564687E-20, 0.37378215E-21) ( 0.24489467E-06, 0.55691562E-07)
  (-0.85618844E-04,-0.16395077E-05) ( 0.33998885E-04, 0.65634861E-06)
  ( 0.54064562E-22, 0.31939162E-23) ( 0.41997198E-23,-0.85886894E-24)
  (-0.33682724E-19,-0.56432039E-21) (-0.45423025E-21,-0.20252786E-22)
  ( 0.87343600E-05, 0.14304375E-06) (-0.11352269E-07,-0.23836597E-08)
  ( 0.75461620E-05, 0.12304949E-06) (-0.59607589E-06,-0.13519533E-07)
  ( 0.25761141E-22, 0.32103547E-24) ( 0.22941138E-21, 0.17756377E-23)
  (-0.11336242E-21,-0.16340876E-23) ( 0.43968472E-20, 0.66444020E-22)
  (-0.40664843E-22,-0.29509211E-23) ( 0.19104160E-11, 0.16347723E-11)
  (-0.22402969E-07,-0.66490749E-09) ( 0.18216059E-09, 0.47435603E-10)
  ( 0.35365625E-08,-0.18681437E-09) ( 0.25213359E-08, 0.21649977E-09)
     ROW  6
  ( 0.86583326E-19,-0.19230217E-19) ( 0.27193471E-03, 0.22990992E-04)
  (-0.56924432E-19,-0.49504949E-21) (-0.12124051E-17,-0.37360201E-19)
  (-0.31679965E-03,-0.90080036E-05) ( 0.14863216E-01, 0.22116315E-03)
  ( 0.43845670E-20, 0.39278875E-21) (-0.19757870E-20,-0.14792673E-22)
  (-0.69272190E-18,-0.15982929E-19) (-0.93429265E-04,-0.18097811E-05)
  ( 0.72041674E-04, 0.14255546E-05) ( 0.10003113E-03, 0.19677811E-05)
  ( 0.15804744E-21, 0.30023748E-23) (-0.23541896E-21, 0.16427658E-22)
  (-0.10594452E-20,-0.15083479E-22) (-0.22269910E-19,-0.49530256E-21)
  (-0.24059117E-07,-0.48078546E-08) ( 0.40646766E-05, 0.69458936E-07)
  (-0.18131037E-05,-0.31323922E-07) ( 0.12763629E-04, 0.22187644E-06)
  (-0.19146281E-21,-0.37397930E-23) (-0.14171893E-21,-0.23614034E-23)
  ( 0.96813914E-22, 0.17423349E-23) ( 0.27968867E-21, 0.17105408E-23)
  ( 0.46897638E-20, 0.68895318E-22) (-0.15920032E-08,-0.36236373E-09)
  ( 0.72601038E-09, 0.16811208E-09) (-0.15835693E-07,-0.42580019E-09)
  ( 0.79035465E-08, 0.37259708E-09) ( 0.11045150E-07, 0.76106231E-09)
     ROW  7
  ( 0.14995294E-03,-0.79513112E-05) ( 0.34214470E-23,-0.31823396E-21)
  ( 0.51269234E-05, 0.34498878E-07) (-0.23632490E-03,-0.91089982E-05)
  (-0.72616386E-20,-0.16486500E-21) ( 0.51875779E-21, 0.28767823E-21)
  ( 0.79780086E-02, 0.63739535E-04) (-0.29339477E-06,-0.61121811E-07)
  ( 0.64198937E-04, 0.10074276E-05) (-0.50332535E-19,-0.64580810E-21)
  ( 0.27550336E-20, 0.35568493E-22) ( 0.59963517E-22,-0.29432994E-22)
  ( 0.41181027E-09, 0.14888380E-09) (-0.64341827E-04,-0.71209411E-06)
  ( 0.18192330E-07, 0.36223776E-08) (-0.48133635E-05,-0.57623963E-07)
  (-0.15105534E-21,-0.14048322E-23) (-0.14616385E-19,-0.14293788E-21)
  (-0.14887487E-21,-0.12006545E-23) (-0.72440784E-23,-0.36007688E-23)
  ( 0.72758145E-05, 0.69561242E-07) (-0.35791115E-11,-0.27912218E-11)
  ( 0.17461389E-05, 0.17494271E-07) (-0.61160180E-09,-0.12061260E-09)
  ( 0.66156693E-07, 0.11693837E-08) (-0.29521378E-22,-0.34293844E-24)
  ( 0.43214668E-22, 0.41623816E-24) (-0.33742232E-21,-0.27853081E-23)
  ( 0.18953316E-22, 0.19124279E-24) ( 0.33914915E-22, 0.96288694E-24)
     ROW  8
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  (-0.36693602E-03,-0.14827011E-04) ( 0.19124999E-03, 0.78903881E-05)
  (-0.57066894E-18,-0.12121694E-19) (-0.11140967E-20,-0.55134277E-22)
  (-0.29339314E-06,-0.61121127E-07) ( 0.76968501E-02, 0.59435075E-04)
  (-0.12941903E-03,-0.20256626E-05) (-0.26831891E-20,-0.32947090E-22)
  (-0.29503752E-18,-0.35925979E-20) ( 0.59267906E-20, 0.11999632E-21)
  (-0.34430239E-04,-0.38146298E-06) ( 0.49209654E-07, 0.87107325E-08)
  (-0.14220684E-04,-0.16313943E-06) ( 0.17817099E-04, 0.19135793E-06)
  (-0.12928099E-21, 0.32957173E-24) (-0.63940490E-21,-0.63974501E-23)
  (-0.22380112E-19,-0.22705289E-21) (-0.41725490E-22,-0.36161603E-24)
  (-0.61912745E-11,-0.46815687E-11) ( 0.37303318E-05, 0.35083461E-07)
  (-0.30291417E-08,-0.52967759E-09) ( 0.48779429E-05, 0.45140277E-07)
  (-0.33766243E-06,-0.37601955E-08) (-0.33927947E-22,-0.30391708E-24)
  ( 0.46396160E-22, 0.18147229E-24) ( 0.56047508E-22, 0.54189487E-24)
  ( 0.43577626E-20, 0.37198826E-22) (-0.25855818E-23,-0.10277964E-23)
     ROW  9
  ( 0.15259741E-03,-0.73582108E-05) ( 0.10596448E-18, 0.56706038E-20)
  ( 0.77316994E-04, 0.25738762E-05) ( 0.19124818E-03, 0.78581054E-05)
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  ( 0.64198939E-04, 0.10074245E-05) (-0.12941903E-03,-0.20256616E-05)
  ( 0.80130162E-02, 0.64305727E-04) ( 0.38054915E-21,-0.41670322E-22)
  ( 0.66995080E-22, 0.27138217E-21) (-0.35477273E-18,-0.46232390E-20)
  ( 0.37909738E-07, 0.72444291E-08) (-0.44276137E-04,-0.48864149E-06)
  ( 0.33555972E-04, 0.37138056E-06) ( 0.56431125E-04, 0.62824103E-06)
  (-0.74931279E-22,-0.49924817E-24) ( 0.19172043E-21, 0.73703984E-23)
  ( 0.17816561E-21,-0.22539780E-23) (-0.21367072E-19,-0.24260293E-21)
  ( 0.51673076E-08, 0.91982318E-09) (-0.60529772E-08,-0.10253321E-08)
  ( 0.19058418E-05, 0.18036086E-07) (-0.89849905E-06,-0.84123480E-08)
  ( 0.69878001E-05, 0.68373577E-07) (-0.44336342E-22,-0.43216013E-24)
  (-0.28836698E-22,-0.25883588E-24) (-0.42606588E-22,-0.28878572E-24)
  ( 0.10281609E-21, 0.11601410E-24) ( 0.47064358E-20, 0.40314090E-22)
     ROW 10
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  (-0.78689174E-21,-0.29755276E-22) ( 0.24735808E-20, 0.10975145E-21)
  ( 0.24506952E-06, 0.55571252E-07) (-0.93429004E-04,-0.18098537E-05)
  (-0.54590009E-19,-0.73761501E-21) (-0.32693213E-20,-0.38899164E-22)
  (-0.58605018E-21, 0.42902020E-22) ( 0.46397920E-02, 0.21540512E-04)
  (-0.57465242E-07,-0.10334167E-07) ( 0.40425153E-04, 0.37547573E-06)
  (-0.32629160E-20,-0.24307204E-22) (-0.54322915E-19,-0.41043075E-21)
  ( 0.12962623E-20, 0.10246027E-22) ( 0.78583413E-22,-0.58882559E-23)
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  (-0.26980192E-21,-0.15773755E-23) (-0.16677892E-21,-0.93206796E-24)
  (-0.11119431E-19,-0.67069826E-22) ( 0.77780386E-22, 0.39740813E-24)
  (-0.12234269E-21,-0.17380686E-23) ( 0.32823653E-05, 0.19052238E-07)
  (-0.42591965E-12,-0.32190178E-12) ( 0.16410282E-05, 0.96045445E-08)
  (-0.28387226E-09,-0.48444803E-10) ( 0.58182952E-07, 0.51760829E-09)
     ROW 11
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  (-0.70991723E-19,-0.23417579E-20) (-0.17981215E-20,-0.10130781E-21)
  (-0.85617817E-04,-0.16392916E-05) ( 0.72041938E-04, 0.14256015E-05)
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  ( 0.10800796E-21, 0.73890072E-23) (-0.57465242E-07,-0.10334167E-07)
  ( 0.46804922E-02, 0.21924818E-04) (-0.63240179E-04,-0.59642213E-06)
  (-0.22695946E-21, 0.51441708E-23) (-0.22294233E-20,-0.17208549E-22)
  (-0.14095159E-18,-0.10848119E-20) ( 0.17909878E-20, 0.22281462E-22)
  (-0.22495569E-04,-0.15258438E-06) ( 0.12553123E-07, 0.20384352E-08)
  ( 0.41550012E-05, 0.25875404E-07) ( 0.10322740E-04, 0.69024199E-07)
  (-0.69828714E-22,-0.36525352E-24) ( 0.94964342E-22, 0.13838207E-23)
  (-0.35788396E-21,-0.21952196E-23) (-0.19923999E-19,-0.12640518E-21)
  (-0.16145672E-21,-0.39496198E-24) (-0.73351670E-12,-0.54695228E-12)
  ( 0.18430801E-05, 0.10872056E-07) (-0.98072917E-09,-0.15772253E-09)
  ( 0.31967222E-05, 0.18694694E-07) (-0.20691368E-06,-0.13086975E-08)
     ROW 12
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  (-0.24860562E-20,-0.15704289E-22) ( 0.17890742E-19, 0.13930886E-21)
  ( 0.33998889E-04, 0.65635006E-06) ( 0.10003114E-03, 0.19677819E-05)
  (-0.73765146E-21,-0.41124034E-22) ( 0.58439250E-20, 0.12074849E-21)
  (-0.36789680E-18,-0.47904853E-20) ( 0.40425152E-04, 0.37548193E-06)
  (-0.63240182E-04,-0.59642570E-06) ( 0.48107282E-02, 0.23166936E-04)
  (-0.29486250E-21,-0.26890630E-23) (-0.26521251E-21, 0.89188197E-23)
  (-0.35306873E-21,-0.27324576E-23) (-0.17596743E-18,-0.14211952E-20)
  ( 0.11886319E-07, 0.19564893E-08) (-0.23511398E-04,-0.16194934E-06)
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  (-0.78836943E-23,-0.86235312E-25) ( 0.28212731E-21, 0.18229489E-23)
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  (-0.18441644E-19,-0.12447473E-21) ( 0.20265283E-08, 0.32283815E-09)
  (-0.18616668E-08,-0.29272714E-09) ( 0.99920832E-06, 0.57910898E-08)
  (-0.49705964E-06,-0.28111484E-08) ( 0.41626956E-05, 0.25429234E-07)
     ROW 13
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  ( 0.27136689E-04, 0.96765415E-06) (-0.11943179E-06,-0.35901330E-07)
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  ( 0.40097659E-09, 0.14001522E-09) (-0.34430169E-04,-0.38142504E-06)
  ( 0.37895879E-07, 0.72257836E-08) (-0.34901969E-20,-0.26676635E-22)
  ( 0.79203825E-23, 0.71438223E-23) ( 0.38635613E-22,-0.33794934E-24)
  ( 0.30851037E-02, 0.95203023E-05) (-0.98171560E-11,-0.65922924E-11)
  ( 0.97221106E-05, 0.60737999E-07) (-0.59947743E-08,-0.10287769E-08)
  (-0.14841816E-20,-0.75749383E-23) ( 0.73740182E-21, 0.39365657E-23)
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  ( 0.40346770E-14, 0.73585030E-14) (-0.17919138E-04,-0.81964185E-07)
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  ( 0.51070555E-09, 0.85754920E-10) (-0.15564183E-21,-0.65002897E-24)
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  ( 0.16714262E-21, 0.48276830E-24) (-0.42462223E-23,-0.22450199E-25)
     ROW 14
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  (-0.64361292E-07,-0.12965060E-07) ( 0.10198888E-04, 0.36070146E-06)
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  (-0.64341824E-04,-0.71206740E-06) ( 0.49190896E-07, 0.86939612E-08)
  (-0.44276159E-04,-0.48863482E-06) (-0.51775980E-19,-0.39130575E-21)
  (-0.24096466E-20,-0.18636020E-22) ( 0.41098867E-21, 0.13446064E-22)
  (-0.98171560E-11,-0.65922924E-11) ( 0.30022961E-02, 0.90209407E-05)
  (-0.15557163E-07,-0.25263626E-08) ( 0.25295182E-04, 0.15290198E-06)
  (-0.19673554E-20,-0.98733830E-23) (-0.34458892E-19,-0.17194510E-21)
  ( 0.22186907E-20, 0.11327522E-22) (-0.30271495E-21,-0.30877205E-23)
  (-0.90367974E-05,-0.41204863E-07) ( 0.11958324E-11, 0.83769595E-12)
  (-0.11725553E-04,-0.53210453E-07) ( 0.21972562E-08, 0.35096105E-09)
  (-0.29517283E-05,-0.13224326E-07) (-0.11741890E-21,-0.40117707E-24)
  (-0.64108777E-21,-0.26213253E-23) (-0.55471643E-20,-0.22585158E-22)
  ( 0.19360822E-22, 0.59545281E-25) (-0.32880569E-22,-0.51453007E-24)
     ROW 15
  ( 0.48854027E-07,-0.41612263E-07) ( 0.12635155E-20, 0.15112088E-21)
  ( 0.11108673E-04, 0.40197090E-06) (-0.43402749E-05,-0.15828361E-06)
  (-0.36581473E-19,-0.61196169E-21) (-0.37271646E-22,-0.62881018E-23)
  ( 0.18183144E-07, 0.36083103E-08) (-0.14220652E-04,-0.16312021E-06)
  ( 0.33555975E-04, 0.37137146E-06) ( 0.19192429E-20, 0.14747370E-22)
  (-0.14192019E-18,-0.10916499E-20) ( 0.11404449E-20, 0.97826949E-23)
  ( 0.97221106E-05, 0.60737999E-07) (-0.15557163E-07,-0.25263626E-08)
  ( 0.30550415E-02, 0.93364561E-05) (-0.34800079E-04,-0.21296012E-06)
  ( 0.12715505E-21, 0.29025645E-23) (-0.11410867E-20,-0.58486735E-23)
  (-0.73679738E-19,-0.38083101E-21) ( 0.15713228E-20, 0.10301774E-22)
  ( 0.77296010E-12, 0.55824434E-12) (-0.14142644E-04,-0.64219305E-07)
  ( 0.39947700E-08, 0.62453682E-09) ( 0.82709665E-05, 0.37094886E-07)
  ( 0.64076254E-05, 0.28673205E-07) ( 0.74772952E-22, 0.33940913E-24)
  ( 0.10468541E-21, 0.81135224E-24) (-0.68978462E-21,-0.29013446E-23)
  (-0.83429494E-20,-0.36069342E-22) ( 0.64787536E-22, 0.49720846E-24)
     ROW 16
  ( 0.42574799E-06, 0.44803807E-07) (-0.11274733E-19,-0.86916628E-21)
  (-0.11501580E-05,-0.68391177E-07) ( 0.26409223E-04, 0.94019546E-06)
  (-0.32739476E-21,-0.18020749E-22) (-0.24139260E-19,-0.53259406E-21)
  (-0.48133179E-05,-0.57596428E-07) ( 0.17817054E-04, 0.19134097E-06)
  ( 0.56431109E-04, 0.62822654E-06) (-0.54536122E-21,-0.97317095E-23)
  ( 0.23139427E-20, 0.26380625E-22) (-0.18055137E-18,-0.14572117E-20)
  (-0.59947743E-08,-0.10287769E-08) ( 0.25295182E-04, 0.15290198E-06)
  (-0.34800079E-04,-0.21296012E-06) ( 0.31144952E-02, 0.97070793E-05)
  ( 0.17421036E-22,-0.21193903E-25) (-0.43235453E-22, 0.19976475E-23)
  ( 0.92830575E-21, 0.53479294E-23) (-0.89714638E-19,-0.47972357E-21)
  (-0.18821750E-08,-0.30445517E-09) ( 0.41401581E-08, 0.64938543E-09)
  (-0.13558093E-04,-0.62302604E-07) ( 0.10349736E-04, 0.47284135E-07)
  ( 0.23017383E-04, 0.10658410E-06) (-0.13365142E-21,-0.56948945E-24)
  ( 0.12673161E-22, 0.38930017E-25) ( 0.45484642E-21, 0.24415380E-23)
  (-0.35057256E-21,-0.16743780E-23) (-0.10363307E-19,-0.46381209E-22)
     ROW 17
  ( 0.33179873E-21,-0.43417223E-22) ( 0.15915502E-07, 0.67509544E-08)
  ( 0.89336273E-21, 0.15167039E-22) ( 0.24261913E-21, 0.11153338E-22)
  ( 0.87343624E-05, 0.14303902E-06) (-0.24059305E-07,-0.48080306E-08)
  (-0.59944481E-21,-0.55791142E-23) (-0.50203941E-21,-0.26695562E-23)
  ( 0.14732946E-21, 0.18138432E-23) ( 0.92682973E-11, 0.68460440E-11)
  (-0.22495569E-04,-0.15258438E-06) ( 0.11886286E-07, 0.19564621E-08)
  (-0.47916308E-20,-0.24567079E-22) (-0.23084589E-20,-0.11598707E-22)
  ( 0.12884196E-21, 0.29665009E-23) (-0.57395296E-22,-0.41576483E-24)
  ( 0.20694059E-02, 0.42832479E-05) (-0.12476914E-11,-0.85926221E-12)
  ( 0.87510168E-05, 0.36573820E-07) (-0.27443635E-08,-0.43562577E-09)
  (-0.14998609E-20,-0.53377573E-23) (-0.42172154E-20,-0.14814323E-22)
  ( 0.69214386E-21, 0.24953305E-23) (-0.14641653E-21,-0.35660742E-24)
  (-0.49651869E-22,-0.14440630E-24) ( 0.96889915E-17, 0.14739058E-15)
  (-0.11262924E-04,-0.35725158E-07) ( 0.11016873E-12, 0.75184115E-13)
  (-0.75998062E-06,-0.24816398E-08) ( 0.30769855E-09, 0.49045113E-10)
     ROW 18
  (-0.70521811E-21, 0.12631579E-21) (-0.15373726E-06,-0.12526043E-07)
  ( 0.70718671E-22, 0.80457644E-23) ( 0.14145333E-21, 0.11597258E-23)
  (-0.11351708E-07,-0.23831639E-08) ( 0.40646789E-05, 0.69460230E-07)
  (-0.18913071E-19,-0.18638086E-21) (-0.24100014E-21,-0.24890058E-23)
  ( 0.98859341E-22, 0.67226016E-23) (-0.30107202E-04,-0.20332427E-06)
  ( 0.12553123E-07, 0.20384352E-08) (-0.23511398E-04,-0.16194927E-06)
  ( 0.75679248E-21, 0.40308470E-23) (-0.35974614E-19,-0.17925586E-21)
  (-0.69232655E-21,-0.34960497E-23) (-0.74117830E-22, 0.16731232E-23)
  (-0.12476914E-11,-0.85926221E-12) ( 0.20658893E-02, 0.42697325E-05)
  (-0.51373843E-08,-0.79644336E-09) ( 0.16330135E-04, 0.67894820E-07)
  ( 0.42986630E-22, 0.30915917E-24) (-0.11962192E-20,-0.42236566E-23)
  (-0.17242823E-19,-0.60457394E-22) ( 0.13982962E-20, 0.49807275E-23)
  ( 0.27811887E-21, 0.73933665E-24) (-0.74749891E-05,-0.23736391E-07)
  ( 0.22338740E-12, 0.15001801E-12) (-0.32413407E-05,-0.10516129E-07)
  ( 0.89464876E-09, 0.13879240E-09) (-0.21860879E-05,-0.68427842E-08)
     ROW 19
  ( 0.24717645E-21, 0.83353955E-23) ( 0.68533386E-07, 0.10152523E-07)
  ( 0.13533544E-19, 0.43690362E-21) (-0.43853124E-21,-0.11772456E-22)
  ( 0.75461653E-05, 0.12304598E-06) (-0.18131056E-05,-0.31324989E-07)
  (-0.33992159E-21,-0.20132284E-23) (-0.21990832E-19,-0.22413767E-21)
  ( 0.29342250E-21,-0.22004928E-24) ( 0.60022672E-08, 0.10162957E-08)
  ( 0.41550012E-05, 0.25875404E-07) ( 0.17815586E-04, 0.12226619E-06)
  (-0.10764725E-21,-0.12998862E-24) ( 0.18720087E-20, 0.95119698E-23)
  (-0.69888559E-19,-0.36120826E-21) (-0.49519915E-21,-0.20807825E-23)
  ( 0.87510168E-05, 0.36573820E-07) (-0.51373843E-08,-0.79644336E-09)
  ( 0.21020569E-02, 0.44197390E-05) (-0.20781804E-04,-0.87232827E-07)
  ( 0.25429631E-22, 0.56205262E-25) ( 0.23679729E-21, 0.15143038E-23)
  (-0.33190350E-21,-0.11735451E-23) (-0.35384245E-19,-0.12865684E-21)
  ( 0.15872938E-20, 0.61714131E-23) ( 0.18317119E-12, 0.12411066E-12)
  (-0.90796289E-05,-0.29039876E-07) ( 0.14849978E-08, 0.22743306E-09)
  ( 0.83916918E-05, 0.26798889E-07) ( 0.41907185E-05, 0.13197357E-07)
     ROW 20
  (-0.26735244E-20, 0.20889672E-21) ( 0.77082503E-07, 0.10711652E-07)
  ( 0.24310479E-21, 0.10616836E-22) (-0.55673106E-20,-0.20891448E-21)
  (-0.59607771E-06,-0.13520249E-07) ( 0.12763629E-04, 0.22187291E-06)
  (-0.22926354E-21,-0.25070390E-23) (-0.41636852E-21,-0.64047462E-23)
  (-0.21925727E-19,-0.25066030E-21) (-0.39364657E-05,-0.26945826E-07)
  ( 0.10322740E-04, 0.69024199E-07) ( 0.34799341E-04, 0.24135490E-06)
  (-0.44177205E-23, 0.40873096E-25) ( 0.92525959E-22,-0.11542874E-23)
  ( 0.23397806E-20, 0.14229686E-22) (-0.90134428E-19,-0.48184758E-21)
  (-0.27443635E-08,-0.43562577E-09) ( 0.16330135E-04, 0.67894820E-07)
  (-0.20781804E-04,-0.87232827E-07) ( 0.21318439E-02, 0.45473473E-05)
  (-0.21568455E-23,-0.11529139E-25) (-0.63563970E-22,-0.28273414E-24)
  ( 0.15885759E-21, 0.11666311E-23) ( 0.51058850E-21, 0.19561798E-23)
  (-0.41448360E-19,-0.15479604E-21) (-0.10289694E-08,-0.15994732E-09)
  ( 0.16123780E-08, 0.24705798E-09) (-0.83311524E-05,-0.26850038E-07)
  ( 0.64267321E-05, 0.20581310E-07) ( 0.16100047E-04, 0.52369683E-07)
     ROW 21
  ( 0.96487768E-09, 0.97221885E-09) (-0.12288534E-21,-0.83560616E-23)
  ( 0.12372852E-09, 0.44953122E-10) (-0.65988814E-08,-0.20237216E-08)
  ( 0.28700693E-22, 0.35021007E-24) (-0.10401287E-21,-0.16271587E-23)
  ( 0.72758151E-05, 0.69561112E-07) (-0.62065986E-11,-0.46480127E-11)
  ( 0.51673723E-08, 0.91981105E-09) (-0.37138648E-21,-0.22010479E-23)
  (-0.56408602E-22,-0.29645710E-24) ( 0.16345070E-21, 0.99162665E-24)
  ( 0.40346803E-14, 0.73585030E-14) (-0.90367974E-05,-0.41204863E-07)
  ( 0.77296010E-12, 0.55824434E-12) (-0.18821750E-08,-0.30445517E-09)
  (-0.13442829E-20,-0.47818178E-23) ( 0.26206202E-21, 0.11073489E-23)
  ( 0.22182435E-22, 0.47860432E-25) (-0.22428540E-22,-0.69983141E-25)
  ( 0.15011939E-02, 0.22537702E-05) (-0.15608982E-16,-0.14218086E-15)
  ( 0.23732046E-05, 0.72388924E-08) (-0.85441431E-13,-0.58357503E-13)
  ( 0.34946601E-09, 0.54944724E-10) (-0.55286683E-21,-0.14315649E-23)
  ( 0.27823905E-21, 0.74705536E-24) ( 0.42477412E-23, 0.30229747E-25)
  ( 0.36366228E-22, 0.10089305E-24) (-0.72919857E-22,-0.19115649E-24)
     ROW 22
  ( 0.39865426E-09, 0.13337331E-09) ( 0.14133013E-21, 0.93002204E-23)
  (-0.56645447E-07,-0.39144317E-08) ( 0.31242014E-08, 0.93069970E-09)
  ( 0.21269345E-22,-0.11987341E-23) (-0.21485613E-21,-0.34381378E-23)
  (-0.35601616E-11,-0.27651627E-11) ( 0.37303319E-05, 0.35083349E-07)
  (-0.60529679E-08,-0.10252876E-08) (-0.33212892E-21,-0.19435342E-23)
  ( 0.28277831E-21, 0.25879021E-23) (-0.90774747E-23,-0.57644287E-25)
  (-0.17919138E-04,-0.81964185E-07) ( 0.11958324E-11, 0.83769595E-12)
  (-0.14142644E-04,-0.64219305E-07) ( 0.41401581E-08, 0.64938543E-09)
  (-0.25670243E-20,-0.90377020E-23) (-0.13706287E-20,-0.48278884E-23)
  ( 0.35607188E-21, 0.19916347E-23) (-0.69483735E-22,-0.30287259E-24)
  (-0.15602963E-16,-0.14218084E-15) ( 0.14731243E-02, 0.21707279E-05)
  (-0.24667486E-12,-0.16420038E-12) ( 0.69214916E-05, 0.20571416E-07)
  (-0.12398731E-08,-0.18980020E-09) (-0.97598059E-21,-0.24918332E-23)
  (-0.26271087E-20,-0.66654375E-23) ( 0.69303918E-21, 0.17984179E-23)
  (-0.78306026E-22,-0.19378115E-24) (-0.70490628E-22,-0.16876266E-24)
     ROW 23
  ( 0.38012492E-09, 0.40176863E-09) (-0.10239976E-21,-0.52605314E-23)
  ( 0.63266815E-09, 0.23269593E-09) (-0.44277108E-07,-0.19994551E-08)
  ( 0.44105713E-22, 0.68989081E-24) ( 0.28308989E-21, 0.43176465E-23)
  ( 0.17461390E-05, 0.17494196E-07) (-0.30290995E-08,-0.52962806E-09)
  ( 0.19058419E-05, 0.18036093E-07) (-0.10116059E-19,-0.60904746E-22)
  (-0.61490066E-21,-0.37834480E-23) ( 0.26671281E-22, 0.18682972E-23)
  ( 0.45159751E-12, 0.32954136E-12) (-0.11725553E-04,-0.53210453E-07)
  ( 0.39947700E-08, 0.62453682E-09) (-0.13558093E-04,-0.62302604E-07)
  ( 0.64112309E-21, 0.23221010E-23) (-0.18888930E-19,-0.66339879E-22)
  ( 0.24627983E-22, 0.80729745E-25) ( 0.14168414E-21, 0.10134617E-23)
  ( 0.23732046E-05, 0.72388924E-08) (-0.24667486E-12,-0.16420038E-12)
  ( 0.14842520E-02, 0.22034963E-05) (-0.19619482E-08,-0.29654531E-09)
  ( 0.10915032E-04, 0.32541728E-07) (-0.15597766E-21,-0.31660297E-24)
  (-0.82333717E-21,-0.21097270E-23) (-0.11191478E-19,-0.28856993E-22)
  ( 0.97810489E-21, 0.25486226E-23) (-0.89621830E-22,-0.32565560E-24)
     ROW 24
  ( 0.10162183E-09,-0.10773024E-09) ( 0.23990261E-22, 0.44000590E-23)
  ( 0.14107017E-08,-0.17674266E-08) ( 0.21138146E-07, 0.17001574E-08)
  ( 0.77211807E-20, 0.11810192E-21) (-0.30201526E-22,-0.34243771E-23)
  (-0.61159245E-09,-0.12056338E-09) ( 0.48779433E-05, 0.45140187E-07)
  (-0.89849914E-06,-0.84123214E-08) (-0.16951087E-21,-0.10938059E-23)
  (-0.14183841E-19,-0.91186745E-22) (-0.46286075E-21,-0.37136546E-23)
  (-0.69391925E-06,-0.34009216E-08) ( 0.21972562E-08, 0.35096105E-09)
  ( 0.82709665E-05, 0.37094886E-07) ( 0.10349736E-04, 0.47284135E-07)
  (-0.48737969E-22,-0.93167922E-25) ( 0.10631026E-20, 0.38012372E-23)
  (-0.35220439E-19,-0.12806236E-21) ( 0.52769097E-21, 0.21129274E-23)
  (-0.85441431E-13,-0.58357503E-13) ( 0.69214916E-05, 0.20571416E-07)
  (-0.19619482E-08,-0.29654531E-09) ( 0.15071502E-02, 0.22720306E-05)
  (-0.13190292E-04,-0.39624362E-07) (-0.70564923E-22,-0.20188385E-24)
  ( 0.98650958E-22, 0.44678018E-24) (-0.32432362E-21,-0.83688088E-24)
  (-0.17862341E-19,-0.47353169E-22) ( 0.10430027E-20, 0.28752760E-23)
     ROW 25
  ( 0.11794855E-08, 0.10376606E-08) (-0.26711394E-20,-0.17098960E-21)
  ( 0.52467086E-08, 0.85441461E-09) ( 0.27612646E-07, 0.27226601E-08)
  ( 0.58335226E-22,-0.30776381E-23) ( 0.65883724E-20, 0.99348290E-22)
  ( 0.66156793E-07, 0.11693967E-08) (-0.33766251E-06,-0.37601681E-08)
  ( 0.69878006E-05, 0.68373473E-07) ( 0.48558473E-22,-0.73638141E-24)
  ( 0.12026222E-21, 0.10867606E-23) (-0.13985186E-19,-0.96401166E-22)
  ( 0.51070555E-09, 0.85754920E-10) (-0.29517283E-05,-0.13224326E-07)
  ( 0.64076254E-05, 0.28673205E-07) ( 0.23017383E-04, 0.10658410E-06)
  (-0.12199285E-23, 0.18401652E-25) (-0.60486605E-22,-0.68668816E-24)
  ( 0.13880752E-20, 0.56604384E-23) (-0.47179294E-19,-0.17549555E-21)
  ( 0.34946601E-09, 0.54944724E-10) (-0.12398731E-08,-0.18980020E-09)
  ( 0.10915032E-04, 0.32541728E-07) (-0.13190292E-04,-0.39624362E-07)
  ( 0.15232802E-02, 0.23214964E-05) ( 0.44160487E-22, 0.11227441E-24)
  ( 0.10444420E-22, 0.59364273E-26) ( 0.16811966E-21, 0.61331645E-24)
  ( 0.44348980E-21, 0.12218793E-23) (-0.20243258E-19,-0.54828806E-22)
     ROW 26
  ( 0.22012936E-22,-0.15247262E-22) ( 0.21642187E-09, 0.12483739E-09)
  (-0.66339941E-22,-0.33077342E-23) (-0.34721511E-22,-0.98491652E-25)
  ( 0.19135254E-11, 0.16343255E-11) (-0.15920015E-08,-0.36236325E-09)
  ( 0.11418983E-23,-0.61709927E-26) (-0.16527908E-23, 0.64811631E-26)
  (-0.13591789E-22,-0.10782719E-24) ( 0.32823653E-05, 0.19052238E-07)
  (-0.73351670E-12,-0.54695228E-12) ( 0.20265284E-08, 0.32283811E-09)
  (-0.34729555E-21,-0.14496554E-23) (-0.22834085E-21,-0.86147045E-24)
  ( 0.30905511E-22, 0.15494088E-24) (-0.16622566E-21,-0.70796105E-24)
  ( 0.96859592E-17, 0.14739057E-15) (-0.74749891E-05,-0.23736391E-07)
  ( 0.18317119E-12, 0.12411066E-12) (-0.10289694E-08,-0.15994732E-09)
  (-0.24475186E-21,-0.63146641E-24) (-0.12469991E-20,-0.31827713E-23)
  (-0.21856367E-22, 0.16742793E-25) (-0.11597665E-22,-0.50369495E-25)
  (-0.47150598E-22,-0.12686330E-24) ( 0.10945557E-02, 0.11981496E-05)
  ( 0.44956345E-17,-0.13407409E-16) ( 0.25949203E-05, 0.57490122E-08)
  (-0.29990959E-13,-0.19765330E-13) ( 0.24515555E-09, 0.37350453E-10)
     ROW 27
  (-0.18336620E-21, 0.17213983E-22) (-0.53447357E-10,-0.43104473E-10)
  (-0.27387633E-21,-0.70962396E-23) ( 0.39765005E-22, 0.28998250E-24)
  (-0.22402975E-07,-0.66489681E-09) ( 0.72601205E-09, 0.16811343E-09)
  ( 0.10598279E-21, 0.96777491E-24) (-0.38149936E-22,-0.50637240E-24)
  ( 0.25117965E-22, 0.21282871E-24) (-0.42591965E-12,-0.32190179E-12)
  ( 0.18430801E-05, 0.10872056E-07) (-0.18616669E-08,-0.29272707E-09)
  (-0.16130545E-20,-0.66296381E-23) (-0.46653385E-21,-0.19087245E-23)
  ( 0.10714310E-21, 0.79673906E-24) (-0.76810475E-22,-0.32198496E-24)
  (-0.11262924E-04,-0.35725158E-07) ( 0.22338740E-12, 0.15001801E-12)
  (-0.90796289E-05,-0.29039876E-07) ( 0.16123780E-08, 0.24705798E-09)
  ( 0.30231786E-21, 0.80889349E-24) (-0.32252962E-20,-0.81961243E-23)
  (-0.74267916E-21,-0.19011524E-23) (-0.46571034E-23, 0.17284671E-24)
  (-0.76224291E-22,-0.22120110E-24) ( 0.44987266E-17,-0.13407402E-16)
  ( 0.10908833E-02, 0.11902844E-05) (-0.61128772E-13,-0.39837841E-13)
  ( 0.52974358E-05, 0.11639887E-07) (-0.58646233E-09,-0.87967962E-10)
     ROW 28
  ( 0.10374011E-21,-0.11894618E-22) ( 0.22785817E-09, 0.13242056E-09)
  ( 0.66731811E-22, 0.84287664E-24) ( 0.19835087E-22, 0.13784643E-23)
  ( 0.18215843E-09, 0.47433175E-10) (-0.15835694E-07,-0.42581486E-09)
  ( 0.61035045E-21, 0.59710378E-23) (-0.34122656E-22,-0.29070281E-24)
  ( 0.67291740E-23, 0.19794648E-24) ( 0.16410282E-05, 0.96045445E-08)
  (-0.98072917E-09,-0.15772253E-09) ( 0.99920832E-06, 0.57910897E-08)
  (-0.12105094E-22,-0.76711125E-25) (-0.57573576E-20,-0.23536060E-22)
  (-0.57640485E-21,-0.24213028E-23) ( 0.11646751E-22, 0.56104480E-24)
  ( 0.11016873E-12, 0.75184115E-13) (-0.32413407E-05,-0.10516129E-07)
  ( 0.14849978E-08, 0.22743306E-09) (-0.83311524E-05,-0.26850038E-07)
  ( 0.76381732E-22, 0.23193565E-24) ( 0.79742911E-21, 0.20646635E-23)
  (-0.97247214E-20,-0.25056320E-22) (-0.22054545E-21,-0.56830746E-24)
  ( 0.94164685E-22, 0.33573784E-24) ( 0.25949203E-05, 0.57490122E-08)
  (-0.61128773E-13,-0.39837841E-13) ( 0.11023883E-02, 0.12154311E-05)
  (-0.83644597E-09,-0.12451505E-09) ( 0.75342828E-05, 0.16649691E-07)
     ROW 29
  ( 0.60731049E-22,-0.88559918E-26) (-0.12593597E-09,-0.79850205E-10)
  (-0.42605412E-21,-0.12598415E-22) ( 0.12163748E-22, 0.17545906E-24)
  ( 0.35365704E-08,-0.18680326E-09) ( 0.79035494E-08, 0.37260297E-09)
  (-0.48863044E-22,-0.43014706E-24) ( 0.51257883E-20, 0.44302069E-22)
  ( 0.19534760E-21, 0.75273944E-24) (-0.28387226E-09,-0.48444803E-10)
  ( 0.31967222E-05, 0.18694694E-07) (-0.49705964E-06,-0.28111483E-08)
  (-0.10930142E-23,-0.28033568E-24) (-0.22280744E-22,-0.11204503E-24)
  (-0.96431393E-20,-0.41452920E-22) (-0.40807444E-21,-0.18679739E-23)
  (-0.75998062E-06,-0.24816398E-08) ( 0.89464876E-09, 0.13879240E-09)
  ( 0.83916918E-05, 0.26798889E-07) ( 0.64267321E-05, 0.20581310E-07)
  ( 0.51066581E-22, 0.13846081E-24) (-0.64566832E-22,-0.13421377E-24)
  ( 0.96514350E-21, 0.25141946E-23) (-0.16141658E-19,-0.42867216E-22)
  ( 0.48520585E-21, 0.13580637E-23) (-0.29990959E-13,-0.19765330E-13)
  ( 0.52974358E-05, 0.11639887E-07) (-0.83644597E-09,-0.12451505E-09)
  ( 0.11168956E-02, 0.12477477E-05) (-0.87796803E-05,-0.19521703E-07)
     ROW 30
  (-0.17501189E-21, 0.23232841E-22) ( 0.52496148E-09, 0.32456801E-09)
  (-0.11800750E-21,-0.42661898E-23) (-0.39355986E-20,-0.11901843E-21)
  ( 0.25213231E-08, 0.21648664E-09) ( 0.11045153E-07, 0.76105739E-09)
  ( 0.48883865E-22, 0.16517317E-23) (-0.43373773E-22,-0.18408988E-23)
  ( 0.40987418E-20, 0.34269938E-22) ( 0.58182952E-07, 0.51760829E-09)
  (-0.20691368E-06,-0.13086975E-08) ( 0.41626956E-05, 0.25429233E-07)
  ( 0.34473686E-23, 0.10790836E-25) ( 0.20716069E-22,-0.24460526E-24)
  ( 0.15533159E-21, 0.81831683E-24) (-0.84886854E-20,-0.38594429E-22)
  ( 0.30769855E-09, 0.49045113E-10) (-0.21860879E-05,-0.68427842E-08)
  ( 0.41907185E-05, 0.13197357E-07) ( 0.16100047E-04, 0.52369683E-07)
  ( 0.17857970E-22, 0.47488703E-25) ( 0.40457337E-23, 0.25977595E-25)
  (-0.39558350E-22,-0.25197023E-24) ( 0.11139890E-20, 0.31169015E-23)
  (-0.23086116E-19,-0.62238559E-22) ( 0.24515555E-09, 0.37350453E-10)
  (-0.58646233E-09,-0.87967962E-10) ( 0.75342828E-05, 0.16649691E-07)
  (-0.87796803E-05,-0.19521703E-07) ( 0.11262110E-02, 0.12688876E-05)
 eigenphases
 -0.5770624E-01  0.1089506E-02  0.1093526E-02  0.1100610E-02  0.1113587E-02
  0.1132960E-02  0.1471242E-02  0.1480463E-02  0.1501074E-02  0.1502522E-02
  0.1532633E-02  0.2060602E-02  0.2066990E-02  0.2095554E-02  0.2145423E-02
  0.2994479E-02  0.3039690E-02  0.3086531E-02  0.3134860E-02  0.4623800E-02
  0.4662170E-02  0.4843310E-02  0.7643389E-02  0.7944676E-02  0.8093137E-02
  0.1395765E-01  0.1497919E-01  0.3112578E-01  0.3315905E-01  0.7018477E-01
 eigenphase sum 0.177153E+00  scattering length=  -0.66037
 eps+pi 0.331875E+01  eps+2*pi 0.646034E+01

MaxIter =   7 c.s. =      0.52937970 rmsk=     0.00000000  Abs eps    0.10000000E-05  Rel eps    0.51095021E-02
Time Now =       475.5079  Delta time =       168.3221 End ScatStab
Time Now =       475.5082  Delta time =         0.0002 Finalize