Execution on login004

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

Authors: R. R. Lucchese, N. Sanna, A. P. P. Natalense, and F. A. Gianturco
http://www.chem.tamu.edu/rgroup/lucchese/ePolyScat.E3.manual/manual.html
Please cite the following two papers when reporting results obtained with  this program
F. A. Gianturco, R. R. Lucchese, and N. Sanna, J. Chem. Phys. 100, 6464 (1994).
A. P. P. Natalense and R. R. Lucchese, J. Chem. Phys. 111, 5344 (1999).

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

Starting at 2011-08-29  10:39:20.542 (GMT -0500)
Using    16 processors

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


+ Start of Input Records
#
# input file for test03
#
# electron scattering from N2 molden SCF, DCS calculation
#
  LMax   15     # maximum l to be used for wave functions
  EMax  50.0    # EMax, maximum asymptotic energy in eV
  EngForm      # Energy formulas
   0 0         # charge, formula type
  FegeEng 13.0   # Energy correction (in eV) used in the fege potential
  ScatContSym 'SG'  # Scattering symmetry
  LMaxK    4     # Maximum l in the K matirx
  ScatEng 3.0 4.0 5.0 6.0
Convert '/g/home/rrl581a/Applications/ePolyScat.E3/tests/test03.molden' 'molden'
GetBlms
ExpOrb
GetPot
GrnType 1
  ScatContSym 'SG'  # Scattering symmetry
Scat
  ScatContSym 'SU'  # Scattering symmetry
Scat
  ScatContSym 'PG'  # Scattering symmetry
Scat
  ScatContSym 'PU'  # Scattering symmetry
Scat
  ScatContSym 'DG'  # Scattering symmetry
Scat
  ScatContSym 'DU'  # Scattering symmetry
Scat
  ScatContSym 'FG'  # Scattering symmetry
Scat
  ScatContSym 'FU'  # Scattering symmetry
Scat
  ScatContSym 'GG'  # Scattering symmetry
Scat
  ScatContSym 'GU'  # Scattering symmetry
Scat
  ScatContSym 'A2G' # Scattering symmetry
Scat
  ScatContSym 'A2U' # Scattering symmetry
Scat
  ScatContSym 'B1G' # Scattering symmetry
Scat
  ScatContSym 'B1U' # Scattering symmetry
Scat
  ScatContSym 'B2G' # Scattering symmetry
Scat
  ScatContSym 'B2U' # Scattering symmetry
Scat
TotalCrossSection
EDCS
+ End of input reached
+ Data Record LMax - 15
+ Data Record EMax - 50.0
+ Data Record EngForm - 0 0
+ Data Record FegeEng - 13.0
+ Data Record ScatContSym - 'SG'
+ Data Record LMaxK - 4
+ Data Record ScatEng - 3.0 4.0 5.0 6.0

+ Command Convert
+ '/g/home/rrl581a/Applications/ePolyScat.E3/tests/test03.molden' 'molden'

----------------------------------------------------------------------
MoldenCnv - Molden (from Molpro) conversion program
----------------------------------------------------------------------

Expansion center is (in Angstroms) -
     0.0000000000   0.0000000000   0.0000000000
Convert from Angstroms to Bohr radii
Found    110 basis functions
Selecting orbitals
Number of orbitals selected is     7
Selecting    1   1 Ene =     -15.6842 Spin =Alpha Occup =   2.000000
Selecting    2   2 Ene =     -15.6806 Spin =Alpha Occup =   2.000000
Selecting    3   3 Ene =      -1.4752 Spin =Alpha Occup =   2.000000
Selecting    4   4 Ene =      -0.7786 Spin =Alpha Occup =   2.000000
Selecting    5   5 Ene =      -0.6350 Spin =Alpha Occup =   2.000000
Selecting    6   6 Ene =      -0.6161 Spin =Alpha Occup =   2.000000
Selecting    7   7 Ene =      -0.6161 Spin =Alpha Occup =   2.000000

Atoms found    2  Coordinates in Angstroms
Z =  7 ZS =  7 r =   0.0000000000   0.0000000000  -0.5470000000
Z =  7 ZS =  7 r =   0.0000000000   0.0000000000   0.5470000000
Maximum distance from expansion center is    0.5470000000

+ Command GetBlms
+

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

Found point group  DAh
Reduce angular grid using nthd =  2  nphid =  4
Found point group for abelian subgroup D2h
Time Now =         0.2948  Delta time =         0.2948 End GetPGroup
List of unique axes
  N  Vector                      Z   R
  1  0.00000  0.00000  1.00000   7  0.54700   7  0.54700
List of corresponding x axes
  N  Vector
  1  1.00000  0.00000  0.00000
Computed default value of LMaxA =   11
Determining angular grid in GetAxMax  LMax =   15  LMaxA =   11  LMaxAb =   30
MMax =    3  MMaxAbFlag =    2
For axis     1  mvals:
   0   1   2   3   4   5   6   7   8   9  10  11   3   3   3   3
On the double L grid used for products
For axis     1  mvals:
   0   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16  17  18  19
  20  21  22  14  14  14  14   6   6   6   6

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

Point group is DAh
LMax = =   15
 The dimension of each irreducable representation is
    SG    (  1)    A2G   (  1)    B1G   (  1)    B2G   (  1)    PG    (  2)
    DG    (  2)    FG    (  2)    GG    (  2)    SU    (  1)    A2U   (  1)
    B1U   (  1)    B2U   (  1)    PU    (  2)    DU    (  2)    FU    (  2)
    GU    (  2)
 Number of symmetry operations in the abelian subgroup (excluding E) =    7
 The operations are -
    12    22    32     2     3    21    31
  Rep  Component  Sym Num  Num Found  Eigenvalues of abelian sub-group
 SG        1         1          9       1  1  1  1  1  1  1
 A2G       1         2          1       1 -1 -1  1  1 -1 -1
 B1G       1         3          3      -1  1 -1  1 -1  1 -1
 B2G       1         4          3      -1 -1  1  1 -1 -1  1
 PG        1         5          8      -1 -1  1  1 -1 -1  1
 PG        2         6          8      -1  1 -1  1 -1  1 -1
 DG        1         7          9       1 -1 -1  1  1 -1 -1
 DG        2         8          9       1  1  1  1  1  1  1
 FG        1         9          8      -1 -1  1  1 -1 -1  1
 FG        2        10          8      -1  1 -1  1 -1  1 -1
 GG        1        11          7       1 -1 -1  1  1 -1 -1
 GG        2        12          7       1  1  1  1  1  1  1
 SU        1        13          9       1 -1 -1 -1 -1  1  1
 A2U       1        14          1       1  1  1 -1 -1 -1 -1
 B1U       1        15          4      -1 -1  1 -1  1  1 -1
 B2U       1        16          4      -1  1 -1 -1  1 -1  1
 PU        1        17         11      -1 -1  1 -1  1  1 -1
 PU        2        18         11      -1  1 -1 -1  1 -1  1
 DU        1        19          9       1 -1 -1 -1 -1  1  1
 DU        2        20          9       1  1  1 -1 -1 -1 -1
 FU        1        21         10      -1 -1  1 -1  1  1 -1
 FU        2        22         10      -1  1 -1 -1  1 -1  1
 GU        1        23          7       1 -1 -1 -1 -1  1  1
 GU        2        24          7       1  1  1 -1 -1 -1 -1
Time Now =         0.9768  Delta time =         0.6821 End SymGen
Number of partial waves for each l in the full symmetry up to LMaxA
SG    1    0(   1)    1(   1)    2(   2)    3(   2)    4(   3)    5(   3)    6(   4)    7(   4)    8(   5)    9(   5)
          10(   7)   11(   7)
A2G   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   0)    6(   0)    7(   0)    8(   0)    9(   0)
          10(   1)   11(   1)
B1G   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   0)    6(   1)    7(   1)    8(   2)    9(   2)
          10(   3)   11(   3)
B2G   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   0)    6(   1)    7(   1)    8(   2)    9(   2)
          10(   3)   11(   3)
PG    1    0(   0)    1(   0)    2(   1)    3(   1)    4(   2)    5(   2)    6(   3)    7(   3)    8(   4)    9(   4)
          10(   6)   11(   6)
PG    2    0(   0)    1(   0)    2(   1)    3(   1)    4(   2)    5(   2)    6(   3)    7(   3)    8(   4)    9(   4)
          10(   6)   11(   6)
DG    1    0(   0)    1(   0)    2(   1)    3(   1)    4(   2)    5(   2)    6(   3)    7(   3)    8(   5)    9(   5)
          10(   7)   11(   7)
DG    2    0(   0)    1(   0)    2(   1)    3(   1)    4(   2)    5(   2)    6(   3)    7(   3)    8(   5)    9(   5)
          10(   7)   11(   7)
FG    1    0(   0)    1(   0)    2(   0)    3(   0)    4(   1)    5(   1)    6(   2)    7(   2)    8(   4)    9(   4)
          10(   6)   11(   6)
FG    2    0(   0)    1(   0)    2(   0)    3(   0)    4(   1)    5(   1)    6(   2)    7(   2)    8(   4)    9(   4)
          10(   6)   11(   6)
GG    1    0(   0)    1(   0)    2(   0)    3(   0)    4(   1)    5(   1)    6(   3)    7(   3)    8(   5)    9(   5)
          10(   7)   11(   7)
GG    2    0(   0)    1(   0)    2(   0)    3(   0)    4(   1)    5(   1)    6(   3)    7(   3)    8(   5)    9(   5)
          10(   7)   11(   7)
SU    1    0(   0)    1(   1)    2(   1)    3(   2)    4(   2)    5(   3)    6(   3)    7(   4)    8(   4)    9(   5)
          10(   5)   11(   7)
A2U   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   0)    6(   0)    7(   0)    8(   0)    9(   0)
          10(   0)   11(   1)
B1U   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   1)    6(   1)    7(   2)    8(   2)    9(   3)
          10(   3)   11(   4)
B2U   1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   1)    6(   1)    7(   2)    8(   2)    9(   3)
          10(   3)   11(   4)
PU    1    0(   0)    1(   1)    2(   1)    3(   2)    4(   2)    5(   3)    6(   3)    7(   4)    8(   4)    9(   6)
          10(   6)   11(   9)
PU    2    0(   0)    1(   1)    2(   1)    3(   2)    4(   2)    5(   3)    6(   3)    7(   4)    8(   4)    9(   6)
          10(   6)   11(   9)
DU    1    0(   0)    1(   0)    2(   0)    3(   1)    4(   1)    5(   2)    6(   2)    7(   3)    8(   3)    9(   5)
          10(   5)   11(   7)
DU    2    0(   0)    1(   0)    2(   0)    3(   1)    4(   1)    5(   2)    6(   2)    7(   3)    8(   3)    9(   5)
          10(   5)   11(   7)
FU    1    0(   0)    1(   0)    2(   0)    3(   1)    4(   1)    5(   2)    6(   2)    7(   4)    8(   4)    9(   6)
          10(   6)   11(   8)
FU    2    0(   0)    1(   0)    2(   0)    3(   1)    4(   1)    5(   2)    6(   2)    7(   4)    8(   4)    9(   6)
          10(   6)   11(   8)
GU    1    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   1)    6(   1)    7(   3)    8(   3)    9(   5)
          10(   5)   11(   7)
GU    2    0(   0)    1(   0)    2(   0)    3(   0)    4(   0)    5(   1)    6(   1)    7(   3)    8(   3)    9(   5)
          10(   5)   11(   7)

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

Point group is D2h
LMax = =   30
 The dimension of each irreducable representation is
    AG    (  1)    B1G   (  1)    B2G   (  1)    B3G   (  1)    AU    (  1)
    B1U   (  1)    B2U   (  1)    B3U   (  1)
Abelian axes
    1       1.000000       0.000000       0.000000
    2       0.000000       1.000000       0.000000
    3       0.000000       0.000000       1.000000
Symmetry operation directions
  1       0.000000       0.000000       1.000000 ang =  0  1 type = 0 axis = 3
  2       0.000000       0.000000       1.000000 ang =  1  2 type = 2 axis = 3
  3       1.000000       0.000000       0.000000 ang =  1  2 type = 2 axis = 1
  4       0.000000       1.000000       0.000000 ang =  1  2 type = 2 axis = 2
  5       0.000000       0.000000       1.000000 ang =  1  2 type = 3 axis = 3
  6       0.000000       0.000000       1.000000 ang =  0  1 type = 1 axis = 3
  7       1.000000       0.000000       0.000000 ang =  0  1 type = 1 axis = 1
  8       0.000000       1.000000       0.000000 ang =  0  1 type = 1 axis = 2
irep =    1  sym =AG    1  eigs =   1   1   1   1   1   1   1   1
irep =    2  sym =B1G   1  eigs =   1   1  -1  -1   1   1  -1  -1
irep =    3  sym =B2G   1  eigs =   1  -1  -1   1   1  -1  -1   1
irep =    4  sym =B3G   1  eigs =   1  -1   1  -1   1  -1   1  -1
irep =    5  sym =AU    1  eigs =   1   1   1   1  -1  -1  -1  -1
irep =    6  sym =B1U   1  eigs =   1   1  -1  -1  -1  -1   1   1
irep =    7  sym =B2U   1  eigs =   1  -1  -1   1  -1   1   1  -1
irep =    8  sym =B3U   1  eigs =   1  -1   1  -1  -1   1  -1   1
 Number of symmetry operations in the abelian subgroup (excluding E) =    7
 The operations are -
     2     3     4     5     6     7     8
  Rep  Component  Sym Num  Num Found  Eigenvalues of abelian sub-group
 AG        1         1        102       1  1  1  1  1  1  1
 B1G       1         2         86       1 -1 -1  1  1 -1 -1
 B2G       1         3         86      -1 -1  1  1 -1 -1  1
 B3G       1         4         86      -1  1 -1  1 -1  1 -1
 AU        1         5         75       1  1  1 -1 -1 -1 -1
 B1U       1         6         90       1 -1 -1 -1 -1  1  1
 B2U       1         7         86      -1 -1  1 -1  1  1 -1
 B3U       1         8         86      -1  1 -1 -1  1 -1  1
Time Now =         0.9902  Delta time =         0.0133 End SymGen

+ Command ExpOrb
+
In GetRMax, RMaxEps =  0.10000000E-05  RMax =    9.6359862155 Angs

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

Maximum R in the grid (RMax) =     9.63599 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) =   9.63599 Angs
Factor to increase grid by (GridFac) =     1

    1  Center at =     0.00000 Angs  Alpha Max = 0.10000E+01
    2  Center at =     0.54700 Angs  Alpha Max = 0.14700E+05

Generated Grid

  irg  nin  ntot      step Angs     R end Angs
    1    8     8    0.18998E-02     0.01520
    2    8    16    0.26749E-02     0.03660
    3    8    24    0.43054E-02     0.07104
    4    8    32    0.57696E-02     0.11720
    5    8    40    0.67259E-02     0.17101
    6    8    48    0.68378E-02     0.22571
    7    8    56    0.62927E-02     0.27605
    8    8    64    0.61050E-02     0.32489
    9    8    72    0.67380E-02     0.37879
   10    8    80    0.77685E-02     0.44094
   11    8    88    0.48305E-02     0.47958
   12    8    96    0.30704E-02     0.50415
   13    8   104    0.19517E-02     0.51976
   14    8   112    0.12406E-02     0.52969
   15    8   120    0.78856E-03     0.53599
   16    8   128    0.54521E-03     0.54036
   17    8   136    0.45672E-03     0.54401
   18    8   144    0.37374E-03     0.54700
   19    8   152    0.43646E-03     0.55049
   20    8   160    0.46530E-03     0.55421
   21    8   168    0.57358E-03     0.55880
   22    8   176    0.87025E-03     0.56576
   23    8   184    0.13836E-02     0.57683
   24    8   192    0.21997E-02     0.59443
   25    8   200    0.34972E-02     0.62241
   26    8   208    0.55601E-02     0.66689
   27    8   216    0.88398E-02     0.73761
   28    8   224    0.14054E-01     0.85004
   29    8   232    0.17629E-01     0.99108
   30    8   240    0.20554E-01     1.15551
   31    8   248    0.29077E-01     1.38812
   32    8   256    0.41231E-01     1.71797
   33    8   264    0.46626E-01     2.09097
   34    8   272    0.51232E-01     2.50083
   35    8   280    0.55135E-01     2.94191
   36    8   288    0.58434E-01     3.40939
   37    8   296    0.61228E-01     3.89921
   38    8   304    0.63602E-01     4.40802
   39    8   312    0.65632E-01     4.93308
   40    8   320    0.67378E-01     5.47210
   41    8   328    0.68888E-01     6.02321
   42    8   336    0.70204E-01     6.58485
   43    8   344    0.71357E-01     7.15571
   44    8   352    0.72374E-01     7.73470
   45    8   360    0.73275E-01     8.32090
   46    8   368    0.74079E-01     8.91353
   47    8   376    0.74798E-01     9.51191
   48    8   384    0.15509E-01     9.63599
Time Now =         1.0052  Delta time =         0.0150 End GenGrid

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

Maximum scattering l (lmax) =   15
Maximum scattering m (mmaxs) =   15
Maximum numerical integration l (lmaxi) =   30
Maximum numerical integration m (mmaxi) =   30
Maximum l to include in the asymptotic region (lmasym) =   11
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 =   10
 Actual value of lmasym found =     11
Number of regions of the same l expansion (NAngReg) =    8
Angular regions
    1 L =    2  from (    1)         0.00190  to (    7)         0.01330
    2 L =    4  from (    8)         0.01520  to (   15)         0.03392
    3 L =    6  from (   16)         0.03660  to (   23)         0.06674
    4 L =    7  from (   24)         0.07104  to (   31)         0.11143
    5 L =    9  from (   32)         0.11720  to (   39)         0.16428
    6 L =   11  from (   40)         0.17101  to (   47)         0.21887
    7 L =   15  from (   48)         0.22571  to (  240)         1.15551
    8 L =   11  from (  241)         1.18459  to (  384)         9.63599
There are     2 angular regions for computing spherical harmonics
    1 lval =   11
    2 lval =   15
Last grid points by processor WorkExp =     1.500
Proc id =   -1  Last grid point =       1
Proc id =    0  Last grid point =      56
Proc id =    1  Last grid point =      72
Proc id =    2  Last grid point =      96
Proc id =    3  Last grid point =     112
Proc id =    4  Last grid point =     128
Proc id =    5  Last grid point =     152
Proc id =    6  Last grid point =     168
Proc id =    7  Last grid point =     184
Proc id =    8  Last grid point =     200
Proc id =    9  Last grid point =     224
Proc id =   10  Last grid point =     240
Proc id =   11  Last grid point =     272
Proc id =   12  Last grid point =     296
Proc id =   13  Last grid point =     328
Proc id =   14  Last grid point =     360
Proc id =   15  Last grid point =     384
Time Now =         1.0087  Delta time =         0.0035 End AngGCt

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


 R of maximum density
     1  SG    1 at max irg =   19  r =   0.55049
     2  SU    1 at max irg =   19  r =   0.55049
     3  SG    1 at max irg =   18  r =   0.54700
     4  SU    1 at max irg =   29  r =   0.99108
     5  SG    1 at max irg =   29  r =   0.99108
     6  PU    1 at max irg =   26  r =   0.66689
     7  PU    2 at max irg =   26  r =   0.66689

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

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

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

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

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

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

Rotation coefficients for orbital     7  grp =    6 PU    2
     6  0.0000000000    7  1.0000000000
Number of orbital groups and degeneracis are         6
  1  1  1  1  1  2
Number of orbital groups and number of electrons when fully occupied
         6
  2  2  2  2  2  4
Time Now =         1.1071  Delta time =         0.0984 End RotOrb

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

 First orbital group to expand (mofr) =    1
 Last orbital group to expand (moto) =    6
Orbital     1 of  SG    1 symmetry normalization integral =  0.98788415
Orbital     2 of  SU    1 symmetry normalization integral =  0.99051993
Orbital     3 of  SG    1 symmetry normalization integral =  0.99928699
Orbital     4 of  SU    1 symmetry normalization integral =  0.99958573
Orbital     5 of  SG    1 symmetry normalization integral =  0.99994443
Orbital     6 of  PU    1 symmetry normalization integral =  0.99999094
Time Now =         1.2356  Delta time =         0.1285 End ExpOrb

+ Command GetPot
+

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

Total density =     14.00000000
Time Now =         1.2392  Delta time =         0.0036 End Den

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

 vasymp =  0.14000000E+02 facnorm =  0.10000000E+01
Time Now =         1.2481  Delta time =         0.0089 Electronic part
Time Now =         1.2484  Delta time =         0.0004 End StPot
+ Data Record GrnType - 1
+ Data Record ScatContSym - 'SG'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =         1.2563  Delta time =         0.0079 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) = SG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     3
Number of asymptotic solutions on the left (NAsymL) =     3
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     3
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =         1.2629  Delta time =         0.0065 Energy independent setup

Compute solution for E =    3.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805809E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805810E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805812E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805814E-16
For potential     3
Number of asymptotic regions =      62
Final point in integration =   0.18302862E+03 Angstroms
Time Now =         1.8511  Delta time =         0.5882 End SolveHomo
      Final k matrix
     ROW  1
  (-0.41623323E+00, 0.74261048E+00) (-0.64825357E-01, 0.11697951E+00)
  (-0.32366710E-03, 0.18430579E-02)
     ROW  2
  (-0.64825356E-01, 0.11697952E+00) (-0.14872150E-01, 0.18470125E-01)
  (-0.45987692E-02, 0.33810273E-03)
     ROW  3
  (-0.32366717E-03, 0.18430590E-02) (-0.45987693E-02, 0.33810262E-03)
  (-0.58278410E-02, 0.62304786E-04)
 eigenphases
 -0.1060046E+01 -0.9774073E-02 -0.7135950E-03
 eigenphase sum-0.107053E+01  scattering length=   3.89579
 eps+pi 0.207106E+01  eps+2*pi 0.521265E+01

MaxIter =   8 c.s. =     12.14718523 angs^2  rmsk=     0.00000004
Time Now =         6.3063  Delta time =         4.4551 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =         6.3120  Delta time =         0.0058 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) = SG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     3
Number of asymptotic solutions on the left (NAsymL) =     3
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     3
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =         6.3168  Delta time =         0.0048 Energy independent setup

Compute solution for E =    4.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244469E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244470E-16
For potential     3
Number of asymptotic regions =      64
Final point in integration =   0.16629196E+03 Angstroms
Time Now =         6.8962  Delta time =         0.5793 End SolveHomo
      Final k matrix
     ROW  1
  (-0.32852689E+00, 0.83028519E+00) (-0.66917977E-01, 0.16879800E+00)
  (-0.34605944E-03, 0.32973102E-02)
     ROW  2
  (-0.66917978E-01, 0.16879801E+00) (-0.12890397E-01, 0.34340327E-01)
  (-0.48614903E-02, 0.69912425E-03)
     ROW  3
  (-0.34605944E-03, 0.32973102E-02) (-0.48614903E-02, 0.69912426E-03)
  (-0.66970830E-02, 0.84834013E-04)
 eigenphases
 -0.1193998E+01 -0.8969819E-02  0.2988070E-02
 eigenphase sum-0.119998E+01  scattering length=   4.74352
 eps+pi 0.194161E+01  eps+2*pi 0.508321E+01

MaxIter =   8 c.s. =     10.35001498 angs^2  rmsk=     0.00000000
Time Now =        11.5838  Delta time =         4.6876 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        11.5899  Delta time =         0.0060 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) = SG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     3
Number of asymptotic solutions on the left (NAsymL) =     3
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     3
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        11.5947  Delta time =         0.0048 Energy independent setup

Compute solution for E =    5.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743511E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743513E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743514E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743517E-16
For potential     3
Number of asymptotic regions =      66
Final point in integration =   0.15437129E+03 Angstroms
Time Now =        12.2278  Delta time =         0.6331 End SolveHomo
      Final k matrix
     ROW  1
  (-0.23998864E+00, 0.87528344E+00) (-0.61140768E-01, 0.21863956E+00)
  (-0.27260438E-03, 0.51245801E-02)
     ROW  2
  (-0.61140768E-01, 0.21863956E+00) (-0.10399314E-01, 0.54661444E-01)
  (-0.47224194E-02, 0.12917707E-02)
     ROW  3
  (-0.27260438E-03, 0.51245801E-02) (-0.47224194E-02, 0.12917707E-02)
  (-0.73440779E-02, 0.11043548E-03)
 eigenphases
 -0.1302898E+01 -0.8825800E-02  0.6356925E-02
 eigenphase sum-0.130537E+01  scattering length=   6.06813
 eps+pi 0.183623E+01  eps+2*pi 0.497782E+01

MaxIter =   8 c.s. =      8.90571189 angs^2  rmsk=     0.00000000
Time Now =        16.9250  Delta time =         4.6973 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        16.9310  Delta time =         0.0060 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) = SG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     3
Number of asymptotic solutions on the left (NAsymL) =     3
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     3
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        16.9359  Delta time =         0.0048 Energy independent setup

Compute solution for E =    6.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149914E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149915E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149917E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149919E-16
For potential     3
Number of asymptotic regions =      68
Final point in integration =   0.14526851E+03 Angstroms
Time Now =        17.5755  Delta time =         0.6396 End SolveHomo
      Final k matrix
     ROW  1
  (-0.15871977E+00, 0.89061843E+00) (-0.48901344E-01, 0.26416151E+00)
  (-0.92344809E-04, 0.72539882E-02)
     ROW  2
  (-0.48901344E-01, 0.26416151E+00) (-0.82492708E-02, 0.78411666E-01)
  (-0.42332522E-02, 0.21581252E-02)
     ROW  3
  (-0.92344813E-04, 0.72539883E-02) (-0.42332522E-02, 0.21581252E-02)
  (-0.77484337E-02, 0.14277998E-03)
 eigenphases
 -0.1393903E+01 -0.8818274E-02  0.7326272E-02
 eigenphase sum-0.139540E+01  scattering length=   8.49703
 eps+pi 0.174620E+01  eps+2*pi 0.488779E+01

MaxIter =   8 c.s. =      7.73355859 angs^2  rmsk=     0.00000000
Time Now =        22.2643  Delta time =         4.6889 End ScatStab
+ Data Record ScatContSym - 'SU'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        22.2704  Delta time =         0.0061 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) = SU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        22.2752  Delta time =         0.0048 Energy independent setup

Compute solution for E =    3.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805809E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805810E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805812E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805814E-16
For potential     3
Number of asymptotic regions =      62
Final point in integration =   0.18302862E+03 Angstroms
Time Now =        22.8554  Delta time =         0.5802 End SolveHomo
      Final k matrix
     ROW  1
  (-0.33364456E+00, 0.12787906E+00) (-0.13401182E-01, 0.52633035E-02)
     ROW  2
  (-0.13401182E-01, 0.52633034E-02) (-0.87437366E-02, 0.29214097E-03)
 eigenphases
 -0.3660230E+00 -0.8192417E-02
 eigenphase sum-0.374215E+00  scattering length=   0.83634
 eps+pi 0.276738E+01  eps+2*pi 0.590897E+01

MaxIter =   7 c.s. =      2.04537869 angs^2  rmsk=     0.00000000
Time Now =        25.6094  Delta time =         2.7540 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        25.6154  Delta time =         0.0060 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) = SU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        25.6202  Delta time =         0.0048 Energy independent setup

Compute solution for E =    4.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244469E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244470E-16
For potential     3
Number of asymptotic regions =      64
Final point in integration =   0.16629196E+03 Angstroms
Time Now =        26.1994  Delta time =         0.5792 End SolveHomo
      Final k matrix
     ROW  1
  (-0.40534745E+00, 0.20786430E+00) (-0.16585993E-01, 0.86627321E-02)
     ROW  2
  (-0.16585993E-01, 0.86627321E-02) (-0.81259791E-02, 0.42745921E-03)
 eigenphases
 -0.4738519E+00 -0.7435072E-02
 eigenphase sum-0.481287E+00  scattering length=   0.96318
 eps+pi 0.266031E+01  eps+2*pi 0.580190E+01

MaxIter =   7 c.s. =      2.49299611 angs^2  rmsk=     0.00000000
Time Now =        28.9536  Delta time =         2.7542 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        28.9595  Delta time =         0.0060 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) = SU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        28.9643  Delta time =         0.0048 Energy independent setup

Compute solution for E =    5.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743511E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743513E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743514E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743517E-16
For potential     3
Number of asymptotic regions =      66
Final point in integration =   0.15437129E+03 Angstroms
Time Now =        29.5974  Delta time =         0.6330 End SolveHomo
      Final k matrix
     ROW  1
  (-0.45503159E+00, 0.29407828E+00) (-0.19496839E-01, 0.12738857E-01)
     ROW  2
  (-0.19496839E-01, 0.12738857E-01) (-0.57824984E-02, 0.58973151E-03)
 eigenphases
 -0.5737655E+00 -0.4938161E-02
 eigenphase sum-0.578704E+00  scattering length=   1.07770
 eps+pi 0.256289E+01  eps+2*pi 0.570448E+01

MaxIter =   7 c.s. =      2.82147136 angs^2  rmsk=     0.00000000
Time Now =        32.3547  Delta time =         2.7573 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        32.3607  Delta time =         0.0060 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) = SU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        32.3654  Delta time =         0.0048 Energy independent setup

Compute solution for E =    6.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149914E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149915E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149917E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149919E-16
For potential     3
Number of asymptotic regions =      68
Final point in integration =   0.14526851E+03 Angstroms
Time Now =        33.0052  Delta time =         0.6397 End SolveHomo
      Final k matrix
     ROW  1
  (-0.48493969E+00, 0.38149790E+00) (-0.22089507E-01, 0.17396569E-01)
     ROW  2
  (-0.22089507E-01, 0.17396569E-01) (-0.14825525E-02, 0.80872215E-03)
 eigenphases
 -0.6665740E+00 -0.4753797E-03
 eigenphase sum-0.667049E+00  scattering length=   1.18581
 eps+pi 0.247454E+01  eps+2*pi 0.561614E+01

MaxIter =   7 c.s. =      3.05053337 angs^2  rmsk=     0.00000000
Time Now =        35.7590  Delta time =         2.7539 End ScatStab
+ Data Record ScatContSym - 'PG'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        35.7650  Delta time =         0.0060 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) = PG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     8
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    6
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    6
Time Now =        35.7698  Delta time =         0.0048 Energy independent setup

Compute solution for E =    3.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805809E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805810E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805812E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805814E-16
For potential     3
Number of asymptotic regions =      62
Final point in integration =   0.18302862E+03 Angstroms
Time Now =        36.2593  Delta time =         0.4895 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.31729439E+00, 0.11357540E+00) ( 0.51047568E-03, 0.17997395E-03)
     ROW  2
  ( 0.51047569E-03, 0.17997395E-03) (-0.48033562E-02, 0.26639189E-04)
 eigenphases
 -0.4804271E-02  0.3437392E+00
 eigenphase sum 0.338935E+00  scattering length=  -0.75077
 eps+pi 0.348053E+01  eps+2*pi 0.662212E+01

MaxIter =   7 c.s. =      1.81294694 angs^2  rmsk=     0.00000000
Time Now =        38.6866  Delta time =         2.4272 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        38.6925  Delta time =         0.0060 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) = PG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     8
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    6
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    6
Time Now =        38.6973  Delta time =         0.0048 Energy independent setup

Compute solution for E =    4.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244469E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244470E-16
For potential     3
Number of asymptotic regions =      64
Final point in integration =   0.16629196E+03 Angstroms
Time Now =        39.1882  Delta time =         0.4908 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.76221335E-01, 0.99387522E+00) ( 0.13638910E-02, 0.16604441E-01)
     ROW  2
  ( 0.13638910E-02, 0.16604441E-01) (-0.53773520E-02, 0.31100153E-03)
 eigenphases
 -0.5400295E-02  0.1494254E+01
 eigenphase sum 0.148885E+01  scattering length= -22.45664
 eps+pi 0.463045E+01  eps+2*pi 0.777204E+01

MaxIter =   7 c.s. =     11.89976984 angs^2  rmsk=     0.00000000
Time Now =        41.8592  Delta time =         2.6710 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        41.8651  Delta time =         0.0059 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) = PG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     8
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    6
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    6
Time Now =        41.8699  Delta time =         0.0048 Energy independent setup

Compute solution for E =    5.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743511E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743513E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743514E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743517E-16
For potential     3
Number of asymptotic regions =      66
Final point in integration =   0.15437129E+03 Angstroms
Time Now =        42.4062  Delta time =         0.5363 End SolveHomo
      Final k matrix
     ROW  1
  (-0.49244297E+00, 0.58445481E+00) (-0.12262517E-01, 0.14727763E-01)
     ROW  2
  (-0.12262517E-01, 0.14727763E-01) (-0.61365024E-02, 0.41070089E-03)
 eigenphases
 -0.8706364E+00 -0.5827689E-02
 eigenphase sum-0.876464E+00  scattering length=   1.98114
 eps+pi 0.226513E+01  eps+2*pi 0.540672E+01

MaxIter =   7 c.s. =      5.60034238 angs^2  rmsk=     0.00000000
Time Now =        44.8405  Delta time =         2.4343 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        44.8464  Delta time =         0.0059 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) = PG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     8
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    6
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    6
Time Now =        44.8512  Delta time =         0.0048 Energy independent setup

Compute solution for E =    6.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149914E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149915E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149917E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149919E-16
For potential     3
Number of asymptotic regions =      68
Final point in integration =   0.14526851E+03 Angstroms
Time Now =        45.3909  Delta time =         0.5397 End SolveHomo
      Final k matrix
     ROW  1
  (-0.49119592E+00, 0.40867832E+00) (-0.15043199E-01, 0.12671961E-01)
     ROW  2
  (-0.15043199E-01, 0.12671961E-01) (-0.65284051E-02, 0.43646152E-03)
 eigenphases
 -0.6939606E+00 -0.6062171E-02
 eigenphase sum-0.700023E+00  scattering length=   1.26843
 eps+pi 0.244157E+01  eps+2*pi 0.558316E+01

MaxIter =   6 c.s. =      3.26452080 angs^2  rmsk=     0.00000000
Time Now =        47.5891  Delta time =         2.1982 End ScatStab
+ Data Record ScatContSym - 'PU'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        47.5950  Delta time =         0.0059 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) = PU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =    11
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    9
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    9
Time Now =        47.5998  Delta time =         0.0048 Energy independent setup

Compute solution for E =    3.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805809E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805810E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805812E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805814E-16
For potential     3
Number of asymptotic regions =      62
Final point in integration =   0.18302862E+03 Angstroms
Time Now =        48.3648  Delta time =         0.7650 End SolveHomo
      Final k matrix
     ROW  1
  (-0.18369891E+00, 0.35041424E-01) (-0.81050720E-02, 0.15927139E-02)
     ROW  2
  (-0.81050720E-02, 0.15927139E-02) (-0.58798229E-02, 0.10995365E-03)
 eigenphases
 -0.1885013E+00 -0.5511345E-02
 eigenphase sum-0.194013E+00  scattering length=   0.41843
 eps+pi 0.294758E+01  eps+2*pi 0.608917E+01

MaxIter =   7 c.s. =      0.56087432 angs^2  rmsk=     0.00000000
Time Now =        50.9234  Delta time =         2.5586 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        50.9293  Delta time =         0.0059 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) = PU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =    11
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    9
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    9
Time Now =        50.9341  Delta time =         0.0048 Energy independent setup

Compute solution for E =    4.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244469E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244470E-16
For potential     3
Number of asymptotic regions =      64
Final point in integration =   0.16629196E+03 Angstroms
Time Now =        51.6981  Delta time =         0.7640 End SolveHomo
      Final k matrix
     ROW  1
  (-0.24773624E+00, 0.65819564E-01) (-0.10310400E-01, 0.27901124E-02)
     ROW  2
  (-0.10310400E-01, 0.27901124E-02) (-0.49938711E-02, 0.14847068E-03)
 eigenphases
 -0.2596928E+00 -0.4556876E-02
 eigenphase sum-0.264250E+00  scattering length=   0.49902
 eps+pi 0.287734E+01  eps+2*pi 0.601894E+01

MaxIter =   7 c.s. =      0.78948556 angs^2  rmsk=     0.00000000
Time Now =        54.2643  Delta time =         2.5662 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        54.2702  Delta time =         0.0059 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) = PU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =    11
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    9
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    9
Time Now =        54.2750  Delta time =         0.0048 Energy independent setup

Compute solution for E =    5.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743511E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743513E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743514E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743517E-16
For potential     3
Number of asymptotic regions =      66
Final point in integration =   0.15437129E+03 Angstroms
Time Now =        55.1093  Delta time =         0.8342 End SolveHomo
      Final k matrix
     ROW  1
  (-0.30286601E+00, 0.10239561E+00) (-0.12801819E-01, 0.43606074E-02)
     ROW  2
  (-0.12801819E-01, 0.43606074E-02) (-0.27745488E-02, 0.20200550E-03)
 eigenphases
 -0.3260283E+00 -0.2229475E-02
 eigenphase sum-0.328258E+00  scattering length=   0.56182
 eps+pi 0.281333E+01  eps+2*pi 0.595493E+01

MaxIter =   7 c.s. =      0.98231732 angs^2  rmsk=     0.00000000
Time Now =        57.6695  Delta time =         2.5602 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        57.6754  Delta time =         0.0059 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) = PU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =    11
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    9
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    9
Time Now =        57.6802  Delta time =         0.0048 Energy independent setup

Compute solution for E =    6.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149914E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149915E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149917E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149919E-16
For potential     3
Number of asymptotic regions =      68
Final point in integration =   0.14526851E+03 Angstroms
Time Now =        58.5189  Delta time =         0.8387 End SolveHomo
      Final k matrix
     ROW  1
  (-0.34921800E+00, 0.14255989E+00) (-0.15593001E-01, 0.63376383E-02)
     ROW  2
  (-0.15593001E-01, 0.63376383E-02) ( 0.88166716E-03, 0.29691614E-03)
 eigenphases
 -0.3875744E+00  0.1574830E-02
 eigenphase sum-0.386000E+00  scattering length=   0.61196
 eps+pi 0.275559E+01  eps+2*pi 0.589719E+01

MaxIter =   7 c.s. =      1.13983908 angs^2  rmsk=     0.00000000
Time Now =        61.0818  Delta time =         2.5629 End ScatStab
+ Data Record ScatContSym - 'DG'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        61.0877  Delta time =         0.0060 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) = DG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        61.0925  Delta time =         0.0048 Energy independent setup

Compute solution for E =    3.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805809E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805810E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805812E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805814E-16
For potential     3
Number of asymptotic regions =      62
Final point in integration =   0.18302862E+03 Angstroms
Time Now =        61.6693  Delta time =         0.5767 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.41726661E-01, 0.17481545E-02) (-0.19944335E-02,-0.79237603E-04)
     ROW  2
  (-0.19944335E-02,-0.79237603E-04) (-0.20556755E-02, 0.10689367E-04)
 eigenphases
 -0.2146358E-02  0.4186623E-01
 eigenphase sum 0.397199E-01  scattering length=  -0.08463
 eps+pi 0.318131E+01  eps+2*pi 0.632291E+01

MaxIter =   5 c.s. =      0.02803019 angs^2  rmsk=     0.00000000
Time Now =        63.1635  Delta time =         1.4943 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        63.1694  Delta time =         0.0059 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) = DG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        63.1742  Delta time =         0.0048 Energy independent setup

Compute solution for E =    4.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244469E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244470E-16
For potential     3
Number of asymptotic regions =      64
Final point in integration =   0.16629196E+03 Angstroms
Time Now =        63.7521  Delta time =         0.5779 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.62633139E-01, 0.39410931E-02) (-0.16250714E-02,-0.98535001E-04)
     ROW  2
  (-0.16250714E-02,-0.98535001E-04) (-0.22186102E-02, 0.10866529E-04)
 eigenphases
 -0.2259329E-02  0.6283913E-01
 eigenphase sum 0.605798E-01  scattering length=  -0.11186
 eps+pi 0.320217E+01  eps+2*pi 0.634377E+01

MaxIter =   5 c.s. =      0.04726320 angs^2  rmsk=     0.00000000
Time Now =        65.2451  Delta time =         1.4930 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        65.2510  Delta time =         0.0059 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) = DG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        65.2558  Delta time =         0.0048 Energy independent setup

Compute solution for E =    5.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743511E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743513E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743514E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743517E-16
For potential     3
Number of asymptotic regions =      66
Final point in integration =   0.15437129E+03 Angstroms
Time Now =        65.8884  Delta time =         0.6326 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.87514893E-01, 0.77191968E-02) (-0.86516152E-03,-0.74326479E-04)
     ROW  2
  (-0.86516152E-03,-0.74326481E-04) (-0.22291176E-02, 0.98133656E-05)
 eigenphases
 -0.2237483E-02  0.8797648E-01
 eigenphase sum 0.857390E-01  scattering length=  -0.14178
 eps+pi 0.322733E+01  eps+2*pi 0.636892E+01

MaxIter =   5 c.s. =      0.07397019 angs^2  rmsk=     0.00000000
Time Now =        67.3834  Delta time =         1.4949 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        67.3893  Delta time =         0.0059 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) = DG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     2
Number of asymptotic solutions on the left (NAsymL) =     2
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     2
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        67.3941  Delta time =         0.0048 Energy independent setup

Compute solution for E =    6.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149914E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149915E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149917E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149919E-16
For potential     3
Number of asymptotic regions =      68
Final point in integration =   0.14526851E+03 Angstroms
Time Now =        68.0253  Delta time =         0.6312 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.11547463E+00, 0.13517189E-01) ( 0.28842941E-03, 0.33180262E-04)
     ROW  2
  ( 0.28842941E-03, 0.33180258E-04) (-0.20651202E-02, 0.92053363E-05)
 eigenphases
 -0.2065854E-02  0.1165273E+00
 eigenphase sum 0.114461E+00  scattering length=  -0.17312
 eps+pi 0.325605E+01  eps+2*pi 0.639765E+01

MaxIter =   5 c.s. =      0.10789656 angs^2  rmsk=     0.00000000
Time Now =        69.5186  Delta time =         1.4933 End ScatStab
+ Data Record ScatContSym - 'DU'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        69.5246  Delta time =         0.0060 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) = DU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        69.5294  Delta time =         0.0048 Energy independent setup

Compute solution for E =    3.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805809E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805810E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805812E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805814E-16
For potential     3
Number of asymptotic regions =      62
Final point in integration =   0.18302862E+03 Angstroms
Time Now =        70.0942  Delta time =         0.5649 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.19542286E-02, 0.81654599E-05)
 eigenphases
  0.1954251E-02
 eigenphase sum 0.195425E-02  scattering length=  -0.00416
 eps+pi 0.314355E+01  eps+2*pi 0.628514E+01

MaxIter =   4 c.s. =      0.00006095 angs^2  rmsk=     0.00000000
Time Now =        70.7035  Delta time =         0.6093 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        70.7096  Delta time =         0.0061 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) = DU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        70.7146  Delta time =         0.0051 Energy independent setup

Compute solution for E =    4.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244469E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244470E-16
For potential     3
Number of asymptotic regions =      64
Final point in integration =   0.16629196E+03 Angstroms
Time Now =        71.2805  Delta time =         0.5659 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.38411315E-02, 0.20242815E-04)
 eigenphases
  0.3841211E-02
 eigenphase sum 0.384121E-02  scattering length=  -0.00708
 eps+pi 0.314543E+01  eps+2*pi 0.628703E+01

MaxIter =   4 c.s. =      0.00017661 angs^2  rmsk=     0.00000000
Time Now =        71.8896  Delta time =         0.6091 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        71.8955  Delta time =         0.0059 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) = DU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        71.9003  Delta time =         0.0048 Energy independent setup

Compute solution for E =    5.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743511E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743513E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743514E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743517E-16
For potential     3
Number of asymptotic regions =      66
Final point in integration =   0.15437129E+03 Angstroms
Time Now =        72.5223  Delta time =         0.6220 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.65841443E-02, 0.49699242E-04)
 eigenphases
  0.6584418E-02
 eigenphase sum 0.658442E-02  scattering length=  -0.01086
 eps+pi 0.314818E+01  eps+2*pi 0.628977E+01

MaxIter =   4 c.s. =      0.00041513 angs^2  rmsk=     0.00000000
Time Now =        73.1316  Delta time =         0.6093 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        73.1375  Delta time =         0.0059 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) = DU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     9
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        73.1424  Delta time =         0.0048 Energy independent setup

Compute solution for E =    6.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149914E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149915E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149917E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149919E-16
For potential     3
Number of asymptotic regions =      68
Final point in integration =   0.14526851E+03 Angstroms
Time Now =        73.7636  Delta time =         0.6213 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.10252522E-01, 0.11195546E-03)
 eigenphases
  0.1025338E-01
 eigenphase sum 0.102534E-01  scattering length=  -0.01544
 eps+pi 0.315185E+01  eps+2*pi 0.629344E+01

MaxIter =   4 c.s. =      0.00083887 angs^2  rmsk=     0.00000000
Time Now =        74.3728  Delta time =         0.6092 End ScatStab
+ Data Record ScatContSym - 'FG'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        74.3787  Delta time =         0.0059 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) = FG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     8
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    6
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    6
Time Now =        74.3835  Delta time =         0.0048 Energy independent setup

Compute solution for E =    3.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805809E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805810E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805812E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805814E-16
For potential     3
Number of asymptotic regions =      62
Final point in integration =   0.18302862E+03 Angstroms
Time Now =        74.8598  Delta time =         0.4763 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.22820240E-02, 0.66614181E-05)
 eigenphases
  0.2282039E-02
 eigenphase sum 0.228204E-02  scattering length=  -0.00486
 eps+pi 0.314387E+01  eps+2*pi 0.628547E+01

MaxIter =   4 c.s. =      0.00008311 angs^2  rmsk=     0.00000000
Time Now =        75.4487  Delta time =         0.5889 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        75.4545  Delta time =         0.0059 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) = FG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     8
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    6
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    6
Time Now =        75.4593  Delta time =         0.0048 Energy independent setup

Compute solution for E =    4.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244469E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244470E-16
For potential     3
Number of asymptotic regions =      64
Final point in integration =   0.16629196E+03 Angstroms
Time Now =        75.9367  Delta time =         0.4774 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.27976580E-02, 0.96998583E-05)
 eigenphases
  0.2797683E-02
 eigenphase sum 0.279768E-02  scattering length=  -0.00516
 eps+pi 0.314439E+01  eps+2*pi 0.628598E+01

MaxIter =   4 c.s. =      0.00009368 angs^2  rmsk=     0.00000000
Time Now =        76.5268  Delta time =         0.5901 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        76.5327  Delta time =         0.0059 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) = FG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     8
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    6
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    6
Time Now =        76.5375  Delta time =         0.0048 Energy independent setup

Compute solution for E =    5.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743511E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743513E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743514E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743517E-16
For potential     3
Number of asymptotic regions =      66
Final point in integration =   0.15437129E+03 Angstroms
Time Now =        77.0588  Delta time =         0.5213 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.33559305E-02, 0.13518037E-04)
 eigenphases
  0.3355971E-02
 eigenphase sum 0.335597E-02  scattering length=  -0.00554
 eps+pi 0.314495E+01  eps+2*pi 0.628654E+01

MaxIter =   4 c.s. =      0.00010784 angs^2  rmsk=     0.00000000
Time Now =        77.6493  Delta time =         0.5905 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        77.6552  Delta time =         0.0059 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) = FG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     8
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    6
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
Maximum l used in usual function (lmax) =   15
Maximum m used in usual function (LMax) =   15
Maxamum l used in expanding static potential (lpotct) =   30
Maximum l used in exapnding the exchange potential (lmaxab) =   30
Higest l included in the expansion of the wave function (lnp) =   14
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    6
Time Now =        77.6600  Delta time =         0.0048 Energy independent setup

Compute solution for E =    6.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149914E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149915E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149917E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149919E-16
For potential     3
Number of asymptotic regions =      68
Final point in integration =   0.14526851E+03 Angstroms
Time Now =        78.1866  Delta time =         0.5266 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.39863169E-02, 0.18488205E-04)
 eigenphases
  0.3986380E-02
 eigenphase sum 0.398638E-02  scattering length=  -0.00600
 eps+pi 0.314558E+01  eps+2*pi 0.628717E+01

MaxIter =   4 c.s. =      0.00012680 angs^2  rmsk=     0.00000000
Time Now =        78.7756  Delta time =         0.5890 End ScatStab
+ Data Record ScatContSym - 'FU'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        78.7816  Delta time =         0.0059 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) = FU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =    10
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    8
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    8
Time Now =        78.7864  Delta time =         0.0048 Energy independent setup

Compute solution for E =    3.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805809E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805810E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805812E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805814E-16
For potential     3
Number of asymptotic regions =      62
Final point in integration =   0.18302862E+03 Angstroms
Time Now =        79.4321  Delta time =         0.6457 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.12314633E-01, 0.15320181E-03)
 eigenphases
  0.1231592E-01
 eigenphase sum 0.123159E-01  scattering length=  -0.02623
 eps+pi 0.315391E+01  eps+2*pi 0.629550E+01

MaxIter =   4 c.s. =      0.00242059 angs^2  rmsk=     0.00000000
Time Now =        80.0436  Delta time =         0.6114 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        80.0495  Delta time =         0.0059 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) = FU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =    10
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    8
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    8
Time Now =        80.0543  Delta time =         0.0048 Energy independent setup

Compute solution for E =    4.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244469E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244470E-16
For potential     3
Number of asymptotic regions =      64
Final point in integration =   0.16629196E+03 Angstroms
Time Now =        80.7006  Delta time =         0.6463 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.14789105E-01, 0.22055272E-03)
 eigenphases
  0.1479131E-01
 eigenphase sum 0.147913E-01  scattering length=  -0.02728
 eps+pi 0.315638E+01  eps+2*pi 0.629798E+01

MaxIter =   4 c.s. =      0.00261850 angs^2  rmsk=     0.00000000
Time Now =        81.3122  Delta time =         0.6116 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        81.3181  Delta time =         0.0059 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) = FU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =    10
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    8
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    8
Time Now =        81.3229  Delta time =         0.0048 Energy independent setup

Compute solution for E =    5.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743511E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743513E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743514E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743517E-16
For potential     3
Number of asymptotic regions =      66
Final point in integration =   0.15437129E+03 Angstroms
Time Now =        82.0315  Delta time =         0.7085 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.17450469E-01, 0.30652417E-03)
 eigenphases
  0.1745408E-01
 eigenphase sum 0.174541E-01  scattering length=  -0.02879
 eps+pi 0.315905E+01  eps+2*pi 0.630064E+01

MaxIter =   4 c.s. =      0.00291683 angs^2  rmsk=     0.00000000
Time Now =        82.6443  Delta time =         0.6129 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        82.6502  Delta time =         0.0059 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) = FU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =    10
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    8
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =    3
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    8
Time Now =        82.6551  Delta time =         0.0048 Energy independent setup

Compute solution for E =    6.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149914E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149915E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149917E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149919E-16
For potential     3
Number of asymptotic regions =      68
Final point in integration =   0.14526851E+03 Angstroms
Time Now =        83.3669  Delta time =         0.7118 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.20395415E-01, 0.41804691E-03)
 eigenphases
  0.2040115E-01
 eigenphase sum 0.204012E-01  scattering length=  -0.03073
 eps+pi 0.316199E+01  eps+2*pi 0.630359E+01

MaxIter =   4 c.s. =      0.00332070 angs^2  rmsk=     0.00000000
Time Now =        83.9783  Delta time =         0.6114 End ScatStab
+ Data Record ScatContSym - 'GG'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        83.9842  Delta time =         0.0059 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) = GG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     7
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =   10
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        83.9890  Delta time =         0.0048 Energy independent setup

Compute solution for E =    3.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805809E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805810E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805812E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.90805814E-16
For potential     3
Number of asymptotic regions =      62
Final point in integration =   0.18302862E+03 Angstroms
Time Now =        84.5470  Delta time =         0.5580 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.77451072E-02, 0.60521976E-04)
 eigenphases
  0.7745425E-02
 eigenphase sum 0.774543E-02  scattering length=  -0.01650
 eps+pi 0.314934E+01  eps+2*pi 0.629093E+01

MaxIter =   4 c.s. =      0.00095740 angs^2  rmsk=     0.00000000
Time Now =        85.1381  Delta time =         0.5911 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        85.1440  Delta time =         0.0059 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) = GG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     7
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =   10
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        85.1488  Delta time =         0.0048 Energy independent setup

Compute solution for E =    4.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244467E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244469E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.88244470E-16
For potential     3
Number of asymptotic regions =      64
Final point in integration =   0.16629196E+03 Angstroms
Time Now =        85.7061  Delta time =         0.5573 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.89179154E-02, 0.80190678E-04)
 eigenphases
  0.8918400E-02
 eigenphase sum 0.891840E-02  scattering length=  -0.01645
 eps+pi 0.315051E+01  eps+2*pi 0.629210E+01

MaxIter =   4 c.s. =      0.00095199 angs^2  rmsk=     0.00000000
Time Now =        86.2978  Delta time =         0.5917 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        86.3036  Delta time =         0.0059 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) = GG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     7
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =   10
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        86.3084  Delta time =         0.0048 Energy independent setup

Compute solution for E =    5.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743511E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743513E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743514E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.98743517E-16
For potential     3
Number of asymptotic regions =      66
Final point in integration =   0.15437129E+03 Angstroms
Time Now =        86.9201  Delta time =         0.6117 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.99729693E-02, 0.10022389E-03)
 eigenphases
  0.9973646E-02
 eigenphase sum 0.997365E-02  scattering length=  -0.01645
 eps+pi 0.315157E+01  eps+2*pi 0.629316E+01

MaxIter =   4 c.s. =      0.00095248 angs^2  rmsk=     0.00000000
Time Now =        87.5115  Delta time =         0.5914 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        87.5174  Delta time =         0.0059 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) = GG    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
Number of partial waves (np) =     7
Number of asymptotic solutions on the right (NAsymR) =     1
Number of asymptotic solutions on the left (NAsymL) =     1
First solution on left to compute is (NAsymLF) =     1
Last solution on left to compute is (NAsymLL) =     1
Maximum in the asymptotic region (lpasym) =   11
Number of partial waves in the asymptotic region (npasym) =    7
Number of orthogonality constraints (NOrthUse) =    0
Number of different asymptotic potentials =    3
Maximum number of asymptotic partial waves =   78
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) =   10
Higest l included in the K matrix (lna) =    4
Highest l used at large r (lpasym) =   11
Higest l used in the asymptotic potential (lpzb) =   22
Maximum L used in the homogeneous solution (LMaxHomo) =   11
Number of partial waves in the homogeneous solution (npHomo) =    7
Time Now =        87.5222  Delta time =         0.0048 Energy independent setup

Compute solution for E =    6.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.00000000E+00 au
 stpote at the end of the grid
For potential     1
 i =  1  lval =   4  stpote = -0.88817842E-15
 i =  2  lval =   3  stpote =  0.77624824E-18
 i =  3  lval =   3  stpote =  0.24254360E-03
 i =  4  lval =   5  stpote = -0.15009698E-20
For potential     2
 i =  1  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149914E-16
 i =  2  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149915E-16
 i =  3  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149917E-16
 i =  4  exps = -0.72837500E+02 -0.20000000E+01  stpote = -0.86149919E-16
For potential     3
Number of asymptotic regions =      68
Final point in integration =   0.14526851E+03 Angstroms
Time Now =        88.1363  Delta time =         0.6141 End SolveHomo
      Final k matrix
     ROW  1
  ( 0.10967064E-01, 0.12111947E-03)
 eigenphases
  0.1096796E-01
 eigenphase sum 0.109680E-01  scattering length=  -0.01652
 eps+pi 0.315256E+01  eps+2*pi 0.629415E+01

MaxIter =   4 c.s. =      0.00095988 angs^2  rmsk=     0.00000000
Time Now =        88.7270  Delta time =         0.5907 End ScatStab
+ Data Record ScatContSym - 'GU'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        88.7329  Delta time =         0.0059 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) = GU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        88.7398  Delta time =         0.0069 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) = GU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        88.7467  Delta time =         0.0069 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) = GU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        88.7536  Delta time =         0.0069 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) = GU    1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK
+ Data Record ScatContSym - 'A2G'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        88.7605  Delta time =         0.0069 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) = A2G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        88.7674  Delta time =         0.0069 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) = A2G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        88.7742  Delta time =         0.0069 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) = A2G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        88.7811  Delta time =         0.0069 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) = A2G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK
+ Data Record ScatContSym - 'A2U'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        88.7880  Delta time =         0.0069 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) = A2U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        88.7949  Delta time =         0.0069 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) = A2U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        88.8017  Delta time =         0.0069 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) = A2U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        88.8086  Delta time =         0.0069 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) = A2U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK
+ Data Record ScatContSym - 'B1G'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        88.8155  Delta time =         0.0069 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) = B1G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        88.8224  Delta time =         0.0069 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) = B1G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        88.8293  Delta time =         0.0069 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) = B1G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        88.8362  Delta time =         0.0069 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) = B1G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK
+ Data Record ScatContSym - 'B1U'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        88.8431  Delta time =         0.0069 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) = B1U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        88.8500  Delta time =         0.0069 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) = B1U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        88.8568  Delta time =         0.0069 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) = B1U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        88.8637  Delta time =         0.0069 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) = B1U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK
+ Data Record ScatContSym - 'B2G'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        88.8706  Delta time =         0.0069 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) = B2G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        88.8775  Delta time =         0.0069 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) = B2G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        88.8844  Delta time =         0.0069 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) = B2G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        88.8913  Delta time =         0.0069 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) = B2G   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK
+ Data Record ScatContSym - 'B2U'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.30000000E+01 eV (  0.11024798E+00 AU)
Time Now =        88.8982  Delta time =         0.0069 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) = B2U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.40000000E+01 eV (  0.14699730E+00 AU)
Time Now =        88.9050  Delta time =         0.0069 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) = B2U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+01 eV (  0.18374663E+00 AU)
Time Now =        88.9119  Delta time =         0.0069 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) = B2U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.60000000E+01 eV (  0.22049596E+00 AU)
Time Now =        88.9188  Delta time =         0.0069 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) = B2U   1
Form of the Green's operator used (iGrnType) =     1
Flag for dipole operator (DipoleFlag) =      F
Maximum l for computed scattering solutions (LMaxK) =    4
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
Number of integration regions used =    48
No asymptotic partial waves with this value of LMaxK

+ Command TotalCrossSection
+
Symmetry SG -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000      12.147185      -1.070534
       4.000000      10.350015      -1.199980
       5.000000       8.905712      -1.305366
       6.000000       7.733559      -1.395395
Symmetry A2G -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.000000       0.000000
       4.000000       0.000000       0.000000
       5.000000       0.000000       0.000000
       6.000000       0.000000       0.000000
Symmetry B1G -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.000000       0.000000
       4.000000       0.000000       0.000000
       5.000000       0.000000       0.000000
       6.000000       0.000000       0.000000
Symmetry B2G -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.000000       0.000000
       4.000000       0.000000       0.000000
       5.000000       0.000000       0.000000
       6.000000       0.000000       0.000000
Symmetry PG -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       1.812947       0.338935
       4.000000      11.899770       1.488853
       5.000000       5.600342       2.265129
       6.000000       3.264521       2.441570
Symmetry DG -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.028030       0.039720
       4.000000       0.047263       0.060580
       5.000000       0.073970       0.085739
       6.000000       0.107897       0.114461
Symmetry FG -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.000083       0.002282
       4.000000       0.000094       0.002798
       5.000000       0.000108       0.003356
       6.000000       0.000127       0.003986
Symmetry GG -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.000957       0.007745
       4.000000       0.000952       0.008918
       5.000000       0.000952       0.009974
       6.000000       0.000960       0.010968
Symmetry SU -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       2.045379      -0.374215
       4.000000       2.492996      -0.481287
       5.000000       2.821471      -0.578704
       6.000000       3.050533      -0.667049
Symmetry A2U -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.000000       0.000000
       4.000000       0.000000       0.000000
       5.000000       0.000000       0.000000
       6.000000       0.000000       0.000000
Symmetry B1U -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.000000       0.000000
       4.000000       0.000000       0.000000
       5.000000       0.000000       0.000000
       6.000000       0.000000       0.000000
Symmetry B2U -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.000000       0.000000
       4.000000       0.000000       0.000000
       5.000000       0.000000       0.000000
       6.000000       0.000000       0.000000
Symmetry PU -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.560874      -0.194013
       4.000000       0.789486      -0.264250
       5.000000       0.982317      -0.328258
       6.000000       1.139839      -0.386000
Symmetry DU -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.000061       0.001954
       4.000000       0.000177       0.003841
       5.000000       0.000415       0.006584
       6.000000       0.000839       0.010253
Symmetry FU -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.002421       0.012316
       4.000000       0.002619       0.014791
       5.000000       0.002917       0.017454
       6.000000       0.003321       0.020401
Symmetry GU -
        E (eV)      XS(angs^2)    EPS(radians)
       3.000000       0.000000       0.000000
       4.000000       0.000000       0.000000
       5.000000       0.000000       0.000000
       6.000000       0.000000       0.000000

 Total Cross Sections

 Energy      Total Cross Section
   3.00000    19.00331
   4.00000    38.32373
   5.00000    25.04923
   6.00000    19.81910

+ Command EDCS
+
All symmetries found for E =       3.000000

----------------------------------------------------------------------
EDCS - differential cross section program
----------------------------------------------------------------------

 Title -
 Maximum l to use from k matrices (lmax) =    4
Minimum l to compute in the expansion of the DCS (lbigl) =    0
Maximum l to use in the expansion of the DCS (lbig) =    8
Unit to write DCS in plot format (iuplt) =    0
Number of angles at which to compute the DCS (nang) =  181
Print flag (iprint) =    0
Energy to compute the EDCS at (eV) =      3.00000000


  Energy (eV)= 3.0000      Energy (ryd)=0.2204960  xk=0.4695700


 AL coefficients
        -1     0.30000000000000E+01
         0     0.54002908183272E+01
         1     0.19931418357746E+01
         2     0.16076025748327E+01
         3    -0.23965930535349E+01
         4     0.13515833835121E+01
         5     0.44259419001643E-02
         6    -0.15565815497998E-01
         7     0.42375715252212E-02
         8     0.17305103425177E-02

For comparison
        -1        3.00000     alcoef
         0        5.40029     alcoef
         1        1.99314     alcoef
         2        1.60760     alcoef
         3       -2.39659     alcoef
         4        1.35158     alcoef
         5        0.00443     alcoef
         6       -0.01557     alcoef
         7        0.00424     alcoef
         8        0.00173     alcoef
 Total Cross Section (Angstrom^2) =  0.1900331091E+02
 Momentum Transfer Cross Section (Angstrom^2) =  0.1666539398E+02
 Differential Cross Section
   Ang   Cross Section (Angstrom^2)
     0.0    0.2226465796E+01
     1.0    0.2226215423E+01
     2.0    0.2225465535E+01
     3.0    0.2224219806E+01
     4.0    0.2222484333E+01
     5.0    0.2220267593E+01
     6.0    0.2217580384E+01
     7.0    0.2214435749E+01
     8.0    0.2210848890E+01
     9.0    0.2206837056E+01
    10.0    0.2202419430E+01
    11.0    0.2197616993E+01
    12.0    0.2192452381E+01
    13.0    0.2186949726E+01
    14.0    0.2181134492E+01
    15.0    0.2175033297E+01
    16.0    0.2168673731E+01
    17.0    0.2162084163E+01
    18.0    0.2155293549E+01
    19.0    0.2148331226E+01
    20.0    0.2141226713E+01
    21.0    0.2134009504E+01
    22.0    0.2126708865E+01
    23.0    0.2119353627E+01
    24.0    0.2111971985E+01
    25.0    0.2104591300E+01
    26.0    0.2097237905E+01
    27.0    0.2089936916E+01
    28.0    0.2082712051E+01
    29.0    0.2075585456E+01
    30.0    0.2068577543E+01
    31.0    0.2061706834E+01
    32.0    0.2054989814E+01
    33.0    0.2048440804E+01
    34.0    0.2042071839E+01
    35.0    0.2035892558E+01
    36.0    0.2029910113E+01
    37.0    0.2024129090E+01
    38.0    0.2018551439E+01
    39.0    0.2013176431E+01
    40.0    0.2008000614E+01
    41.0    0.2003017800E+01
    42.0    0.1998219056E+01
    43.0    0.1993592718E+01
    44.0    0.1989124418E+01
    45.0    0.1984797123E+01
    46.0    0.1980591199E+01
    47.0    0.1976484482E+01
    48.0    0.1972452365E+01
    49.0    0.1968467911E+01
    50.0    0.1964501961E+01
    51.0    0.1960523279E+01
    52.0    0.1956498694E+01
    53.0    0.1952393262E+01
    54.0    0.1948170447E+01
    55.0    0.1943792301E+01
    56.0    0.1939219668E+01
    57.0    0.1934412399E+01
    58.0    0.1929329563E+01
    59.0    0.1923929691E+01
    60.0    0.1918171006E+01
    61.0    0.1912011678E+01
    62.0    0.1905410075E+01
    63.0    0.1898325027E+01
    64.0    0.1890716088E+01
    65.0    0.1882543810E+01
    66.0    0.1873770009E+01
    67.0    0.1864358041E+01
    68.0    0.1854273073E+01
    69.0    0.1843482353E+01
    70.0    0.1831955476E+01
    71.0    0.1819664649E+01
    72.0    0.1806584943E+01
    73.0    0.1792694544E+01
    74.0    0.1777974990E+01
    75.0    0.1762411403E+01
    76.0    0.1745992699E+01
    77.0    0.1728711794E+01
    78.0    0.1710565788E+01
    79.0    0.1691556137E+01
    80.0    0.1671688801E+01
    81.0    0.1650974379E+01
    82.0    0.1629428219E+01
    83.0    0.1607070506E+01
    84.0    0.1583926328E+01
    85.0    0.1560025719E+01
    86.0    0.1535403674E+01
    87.0    0.1510100145E+01
    88.0    0.1484159997E+01
    89.0    0.1457632955E+01
    90.0    0.1430573513E+01
    91.0    0.1403040815E+01
    92.0    0.1375098517E+01
    93.0    0.1346814613E+01
    94.0    0.1318261243E+01
    95.0    0.1289514468E+01
    96.0    0.1260654025E+01
    97.0    0.1231763052E+01
    98.0    0.1202927797E+01
    99.0    0.1174237299E+01
   100.0    0.1145783051E+01
   101.0    0.1117658641E+01
   102.0    0.1089959378E+01
   103.0    0.1062781905E+01
   104.0    0.1036223787E+01
   105.0    0.1010383103E+01
   106.0    0.9853580112E+00
   107.0    0.9612463208E+00
   108.0    0.9381450488E+00
   109.0    0.9161499771E+00
   110.0    0.8953552086E+00
   111.0    0.8758527232E+00
   112.0    0.8577319387E+00
   113.0    0.8410792769E+00
   114.0    0.8259777373E+00
   115.0    0.8125064822E+00
   116.0    0.8007404335E+00
   117.0    0.7907498846E+00
   118.0    0.7826001282E+00
   119.0    0.7763511036E+00
   120.0    0.7720570636E+00
   121.0    0.7697662639E+00
   122.0    0.7695206761E+00
   123.0    0.7713557253E+00
   124.0    0.7753000552E+00
   125.0    0.7813753198E+00
   126.0    0.7895960044E+00
   127.0    0.7999692757E+00
   128.0    0.8124948626E+00
   129.0    0.8271649675E+00
   130.0    0.8439642092E+00
   131.0    0.8628695968E+00
   132.0    0.8838505361E+00
   133.0    0.9068688667E+00
   134.0    0.9318789316E+00
   135.0    0.9588276767E+00
   136.0    0.9876547825E+00
   137.0    0.1018292825E+01
   138.0    0.1050667464E+01
   139.0    0.1084697667E+01
   140.0    0.1120295951E+01
   141.0    0.1157368657E+01
   142.0    0.1195816252E+01
   143.0    0.1235533646E+01
   144.0    0.1276410544E+01
   145.0    0.1318331806E+01
   146.0    0.1361177843E+01
   147.0    0.1404825014E+01
   148.0    0.1449146053E+01
   149.0    0.1494010504E+01
   150.0    0.1539285175E+01
   151.0    0.1584834595E+01
   152.0    0.1630521491E+01
   153.0    0.1676207265E+01
   154.0    0.1721752483E+01
   155.0    0.1767017361E+01
   156.0    0.1811862263E+01
   157.0    0.1856148191E+01
   158.0    0.1899737279E+01
   159.0    0.1942493281E+01
   160.0    0.1984282058E+01
   161.0    0.2024972048E+01
   162.0    0.2064434746E+01
   163.0    0.2102545153E+01
   164.0    0.2139182225E+01
   165.0    0.2174229309E+01
   166.0    0.2207574556E+01
   167.0    0.2239111326E+01
   168.0    0.2268738567E+01
   169.0    0.2296361177E+01
   170.0    0.2321890351E+01
   171.0    0.2345243892E+01
   172.0    0.2366346514E+01
   173.0    0.2385130107E+01
   174.0    0.2401533985E+01
   175.0    0.2415505105E+01
   176.0    0.2426998257E+01
   177.0    0.2435976225E+01
   178.0    0.2442409924E+01
   179.0    0.2446278505E+01
   180.0    0.2447569427E+01
Time Now =        88.9605  Delta time =         0.0417 End EDCS
All symmetries found for E =       4.000000

----------------------------------------------------------------------
EDCS - differential cross section program
----------------------------------------------------------------------

 Title -
 Maximum l to use from k matrices (lmax) =    4
Minimum l to compute in the expansion of the DCS (lbigl) =    0
Maximum l to use in the expansion of the DCS (lbig) =    8
Unit to write DCS in plot format (iuplt) =    0
Number of angles at which to compute the DCS (nang) =  181
Print flag (iprint) =    0
Energy to compute the EDCS at (eV) =      4.00000000


  Energy (eV)= 4.0000      Energy (ryd)=0.2939946  xk=0.5422127


 AL coefficients
        -1     0.40000000000000E+01
         0     0.10890696231481E+02
         1     0.52726588243925E+01
         2     0.16569608758074E+02
         3     0.18875782369250E+01
         4     0.79712538404967E+01
         5     0.30151998580850E-01
         6     0.17447421575722E-01
         7     0.40270603170283E-02
         8     0.17037961201472E-02

For comparison
        -1        4.00000     alcoef
         0       10.89070     alcoef
         1        5.27266     alcoef
         2       16.56961     alcoef
         3        1.88758     alcoef
         4        7.97125     alcoef
         5        0.03015     alcoef
         6        0.01745     alcoef
         7        0.00403     alcoef
         8        0.00170     alcoef
 Total Cross Section (Angstrom^2) =  0.3832372987E+02
 Momentum Transfer Cross Section (Angstrom^2) =  0.3213900277E+02
 Differential Cross Section
   Ang   Cross Section (Angstrom^2)
     0.0    0.1194185147E+02
     1.0    0.1193558289E+02
     2.0    0.1191679644E+02
     3.0    0.1188554989E+02
     4.0    0.1184193926E+02
     5.0    0.1178609841E+02
     6.0    0.1171819847E+02
     7.0    0.1163844711E+02
     8.0    0.1154708769E+02
     9.0    0.1144439817E+02
    10.0    0.1133069001E+02
    11.0    0.1120630683E+02
    12.0    0.1107162295E+02
    13.0    0.1092704186E+02
    14.0    0.1077299448E+02
    15.0    0.1060993746E+02
    16.0    0.1043835118E+02
    17.0    0.1025873784E+02
    18.0    0.1007161937E+02
    19.0    0.9877535279E+01
    20.0    0.9677040488E+01
    21.0    0.9470703053E+01
    22.0    0.9259101885E+01
    23.0    0.9042824432E+01
    24.0    0.8822464342E+01
    25.0    0.8598619111E+01
    26.0    0.8371887749E+01
    27.0    0.8142868443E+01
    28.0    0.7912156261E+01
    29.0    0.7680340876E+01
    30.0    0.7448004346E+01
    31.0    0.7215718943E+01
    32.0    0.6984045049E+01
    33.0    0.6753529123E+01
    34.0    0.6524701754E+01
    35.0    0.6298075802E+01
    36.0    0.6074144635E+01
    37.0    0.5853380482E+01
    38.0    0.5636232885E+01
    39.0    0.5423127275E+01
    40.0    0.5214463678E+01
    41.0    0.5010615540E+01
    42.0    0.4811928693E+01
    43.0    0.4618720452E+01
    44.0    0.4431278856E+01
    45.0    0.4249862050E+01
    46.0    0.4074697811E+01
    47.0    0.3905983216E+01
    48.0    0.3743884460E+01
    49.0    0.3588536814E+01
    50.0    0.3440044729E+01
    51.0    0.3298482083E+01
    52.0    0.3163892562E+01
    53.0    0.3036290184E+01
    54.0    0.2915659956E+01
    55.0    0.2801958651E+01
    56.0    0.2695115720E+01
    57.0    0.2595034316E+01
    58.0    0.2501592434E+01
    59.0    0.2414644156E+01
    60.0    0.2334020997E+01
    61.0    0.2259533344E+01
    62.0    0.2190971978E+01
    63.0    0.2128109673E+01
    64.0    0.2070702872E+01
    65.0    0.2018493409E+01
    66.0    0.1971210296E+01
    67.0    0.1928571544E+01
    68.0    0.1890286019E+01
    69.0    0.1856055326E+01
    70.0    0.1825575701E+01
    71.0    0.1798539915E+01
    72.0    0.1774639164E+01
    73.0    0.1753564957E+01
    74.0    0.1735010970E+01
    75.0    0.1718674873E+01
    76.0    0.1704260116E+01
    77.0    0.1691477659E+01
    78.0    0.1680047653E+01
    79.0    0.1669701041E+01
    80.0    0.1660181096E+01
    81.0    0.1651244869E+01
    82.0    0.1642664548E+01
    83.0    0.1634228724E+01
    84.0    0.1625743550E+01
    85.0    0.1617033794E+01
    86.0    0.1607943780E+01
    87.0    0.1598338207E+01
    88.0    0.1588102852E+01
    89.0    0.1577145139E+01
    90.0    0.1565394587E+01
    91.0    0.1552803131E+01
    92.0    0.1539345297E+01
    93.0    0.1525018266E+01
    94.0    0.1509841784E+01
    95.0    0.1493857958E+01
    96.0    0.1477130913E+01
    97.0    0.1459746320E+01
    98.0    0.1441810806E+01
    99.0    0.1423451231E+01
   100.0    0.1404813854E+01
   101.0    0.1386063387E+01
   102.0    0.1367381929E+01
   103.0    0.1348967811E+01
   104.0    0.1331034331E+01
   105.0    0.1313808408E+01
   106.0    0.1297529149E+01
   107.0    0.1282446336E+01
   108.0    0.1268818857E+01
   109.0    0.1256913059E+01
   110.0    0.1247001073E+01
   111.0    0.1239359072E+01
   112.0    0.1234265520E+01
   113.0    0.1231999374E+01
   114.0    0.1232838293E+01
   115.0    0.1237056823E+01
   116.0    0.1244924599E+01
   117.0    0.1256704555E+01
   118.0    0.1272651158E+01
   119.0    0.1293008675E+01
   120.0    0.1318009477E+01
   121.0    0.1347872403E+01
   122.0    0.1382801169E+01
   123.0    0.1422982855E+01
   124.0    0.1468586464E+01
   125.0    0.1519761559E+01
   126.0    0.1576636999E+01
   127.0    0.1639319761E+01
   128.0    0.1707893874E+01
   129.0    0.1782419456E+01
   130.0    0.1862931868E+01
   131.0    0.1949440988E+01
   132.0    0.2041930600E+01
   133.0    0.2140357922E+01
   134.0    0.2244653254E+01
   135.0    0.2354719757E+01
   136.0    0.2470433376E+01
   137.0    0.2591642886E+01
   138.0    0.2718170078E+01
   139.0    0.2849810079E+01
   140.0    0.2986331804E+01
   141.0    0.3127478547E+01
   142.0    0.3272968689E+01
   143.0    0.3422496545E+01
   144.0    0.3575733330E+01
   145.0    0.3732328241E+01
   146.0    0.3891909662E+01
   147.0    0.4054086469E+01
   148.0    0.4218449446E+01
   149.0    0.4384572793E+01
   150.0    0.4552015733E+01
   151.0    0.4720324188E+01
   152.0    0.4889032549E+01
   153.0    0.5057665496E+01
   154.0    0.5225739889E+01
   155.0    0.5392766705E+01
   156.0    0.5558253017E+01
   157.0    0.5721704004E+01
   158.0    0.5882624987E+01
   159.0    0.6040523473E+01
   160.0    0.6194911210E+01
   161.0    0.6345306227E+01
   162.0    0.6491234865E+01
   163.0    0.6632233778E+01
   164.0    0.6767851903E+01
   165.0    0.6897652382E+01
   166.0    0.7021214430E+01
   167.0    0.7138135145E+01
   168.0    0.7248031240E+01
   169.0    0.7350540699E+01
   170.0    0.7445324344E+01
   171.0    0.7532067308E+01
   172.0    0.7610480401E+01
   173.0    0.7680301374E+01
   174.0    0.7741296061E+01
   175.0    0.7793259399E+01
   176.0    0.7836016332E+01
   177.0    0.7869422570E+01
   178.0    0.7893365229E+01
   179.0    0.7907763320E+01
   180.0    0.7912568107E+01
Time Now =        88.9617  Delta time =         0.0012 End EDCS
All symmetries found for E =       5.000000

----------------------------------------------------------------------
EDCS - differential cross section program
----------------------------------------------------------------------

 Title -
 Maximum l to use from k matrices (lmax) =    4
Minimum l to compute in the expansion of the DCS (lbigl) =    0
Maximum l to use in the expansion of the DCS (lbig) =    8
Unit to write DCS in plot format (iuplt) =    0
Number of angles at which to compute the DCS (nang) =  181
Print flag (iprint) =    0
Energy to compute the EDCS at (eV) =      5.00000000


  Energy (eV)= 5.0000      Energy (ryd)=0.3674933  xk=0.6062122


 AL coefficients
        -1     0.50000000000000E+01
         0     0.71183971259345E+01
         1     0.70887720670845E+01
         2     0.10535114211174E+02
         3     0.47375006808880E+01
         4     0.33727870598018E+01
         5    -0.27881588729777E-01
         6     0.45966747836259E-01
         7     0.38104065513137E-02
         8     0.17109963670652E-02

For comparison
        -1        5.00000     alcoef
         0        7.11840     alcoef
         1        7.08877     alcoef
         2       10.53511     alcoef
         3        4.73750     alcoef
         4        3.37279     alcoef
         5       -0.02788     alcoef
         6        0.04597     alcoef
         7        0.00381     alcoef
         8        0.00171     alcoef
 Total Cross Section (Angstrom^2) =  0.2504922759E+02
 Momentum Transfer Cross Section (Angstrom^2) =  0.1673423469E+02
 Differential Cross Section
   Ang   Cross Section (Angstrom^2)
     0.0    0.9206267314E+01
     1.0    0.9201936566E+01
     2.0    0.9188955913E+01
     3.0    0.9167360077E+01
     4.0    0.9137206780E+01
     5.0    0.9098576515E+01
     6.0    0.9051572231E+01
     7.0    0.8996318935E+01
     8.0    0.8932963201E+01
     9.0    0.8861672604E+01
    10.0    0.8782635071E+01
    11.0    0.8696058153E+01
    12.0    0.8602168228E+01
    13.0    0.8501209638E+01
    14.0    0.8393443751E+01
    15.0    0.8279147977E+01
    16.0    0.8158614717E+01
    17.0    0.8032150270E+01
    18.0    0.7900073689E+01
    19.0    0.7762715607E+01
    20.0    0.7620417019E+01
    21.0    0.7473528042E+01
    22.0    0.7322406653E+01
    23.0    0.7167417407E+01
    24.0    0.7008930149E+01
    25.0    0.6847318716E+01
    26.0    0.6682959645E+01
    27.0    0.6516230880E+01
    28.0    0.6347510500E+01
    29.0    0.6177175457E+01
    30.0    0.6005600335E+01
    31.0    0.5833156144E+01
    32.0    0.5660209136E+01
    33.0    0.5487119667E+01
    34.0    0.5314241086E+01
    35.0    0.5141918685E+01
    36.0    0.4970488681E+01
    37.0    0.4800277261E+01
    38.0    0.4631599675E+01
    39.0    0.4464759386E+01
    40.0    0.4300047286E+01
    41.0    0.4137740964E+01
    42.0    0.3978104049E+01
    43.0    0.3821385606E+01
    44.0    0.3667819609E+01
    45.0    0.3517624477E+01
    46.0    0.3371002675E+01
    47.0    0.3228140390E+01
    48.0    0.3089207270E+01
    49.0    0.2954356237E+01
    50.0    0.2823723358E+01
    51.0    0.2697427798E+01
    52.0    0.2575571824E+01
    53.0    0.2458240885E+01
    54.0    0.2345503747E+01
    55.0    0.2237412701E+01
    56.0    0.2134003820E+01
    57.0    0.2035297278E+01
    58.0    0.1941297730E+01
    59.0    0.1851994734E+01
    60.0    0.1767363238E+01
    61.0    0.1687364104E+01
    62.0    0.1611944682E+01
    63.0    0.1541039423E+01
    64.0    0.1474570539E+01
    65.0    0.1412448690E+01
    66.0    0.1354573706E+01
    67.0    0.1300835343E+01
    68.0    0.1251114061E+01
    69.0    0.1205281821E+01
    70.0    0.1163202908E+01
    71.0    0.1124734764E+01
    72.0    0.1089728834E+01
    73.0    0.1058031418E+01
    74.0    0.1029484530E+01
    75.0    0.1003926754E+01
    76.0    0.9811941030E+00
    77.0    0.9611208590E+00
    78.0    0.9435404169E+00
    79.0    0.9282861045E+00
    80.0    0.9151919893E+00
    81.0    0.9040936633E+00
    82.0    0.8948290050E+00
    83.0    0.8872389127E+00
    84.0    0.8811680097E+00
    85.0    0.8764653152E+00
    86.0    0.8729848804E+00
    87.0    0.8705863862E+00
    88.0    0.8691357008E+00
    89.0    0.8685053944E+00
    90.0    0.8685752094E+00
    91.0    0.8692324846E+00
    92.0    0.8703725311E+00
    93.0    0.8718989593E+00
    94.0    0.8737239555E+00
    95.0    0.8757685077E+00
    96.0    0.8779625790E+00
    97.0    0.8802452292E+00
    98.0    0.8825646846E+00
    99.0    0.8848783549E+00
   100.0    0.8871527986E+00
   101.0    0.8893636373E+00
   102.0    0.8914954197E+00
   103.0    0.8935414364E+00
   104.0    0.8955034860E+00
   105.0    0.8973915963E+00
   106.0    0.8992236996E+00
   107.0    0.9010252659E+00
   108.0    0.9028288959E+00
   109.0    0.9046738756E+00
   110.0    0.9066056952E+00
   111.0    0.9086755364E+00
   112.0    0.9109397284E+00
   113.0    0.9134591782E+00
   114.0    0.9162987770E+00
   115.0    0.9195267857E+00
   116.0    0.9232142047E+00
   117.0    0.9274341288E+00
   118.0    0.9322610933E+00
   119.0    0.9377704133E+00
   120.0    0.9440375201E+00
   121.0    0.9511372991E+00
   122.0    0.9591434317E+00
   123.0    0.9681277456E+00
   124.0    0.9781595773E+00
   125.0    0.9893051489E+00
   126.0    0.1001626965E+01
   127.0    0.1015183230E+01
   128.0    0.1030027294E+01
   129.0    0.1046207122E+01
   130.0    0.1063764800E+01
   131.0    0.1082736073E+01
   132.0    0.1103149921E+01
   133.0    0.1125028172E+01
   134.0    0.1148385161E+01
   135.0    0.1173227429E+01
   136.0    0.1199553472E+01
   137.0    0.1227353535E+01
   138.0    0.1256609454E+01
   139.0    0.1287294549E+01
   140.0    0.1319373571E+01
   141.0    0.1352802694E+01
   142.0    0.1387529565E+01
   143.0    0.1423493402E+01
   144.0    0.1460625145E+01
   145.0    0.1498847656E+01
   146.0    0.1538075976E+01
   147.0    0.1578217620E+01
   148.0    0.1619172927E+01
   149.0    0.1660835456E+01
   150.0    0.1703092425E+01
   151.0    0.1745825185E+01
   152.0    0.1788909746E+01
   153.0    0.1832217330E+01
   154.0    0.1875614957E+01
   155.0    0.1918966067E+01
   156.0    0.1962131167E+01
   157.0    0.2004968495E+01
   158.0    0.2047334713E+01
   159.0    0.2089085611E+01
   160.0    0.2130076820E+01
   161.0    0.2170164536E+01
   162.0    0.2209206248E+01
   163.0    0.2247061459E+01
   164.0    0.2283592412E+01
   165.0    0.2318664796E+01
   166.0    0.2352148444E+01
   167.0    0.2383918011E+01
   168.0    0.2413853634E+01
   169.0    0.2441841559E+01
   170.0    0.2467774743E+01
   171.0    0.2491553426E+01
   172.0    0.2513085656E+01
   173.0    0.2532287782E+01
   174.0    0.2549084904E+01
   175.0    0.2563411271E+01
   176.0    0.2575210638E+01
   177.0    0.2584436564E+01
   178.0    0.2591052669E+01
   179.0    0.2595032822E+01
   180.0    0.2596361292E+01
Time Now =        88.9629  Delta time =         0.0012 End EDCS
All symmetries found for E =       6.000000

----------------------------------------------------------------------
EDCS - differential cross section program
----------------------------------------------------------------------

 Title -
 Maximum l to use from k matrices (lmax) =    4
Minimum l to compute in the expansion of the DCS (lbigl) =    0
Maximum l to use in the expansion of the DCS (lbig) =    8
Unit to write DCS in plot format (iuplt) =    0
Number of angles at which to compute the DCS (nang) =  181
Print flag (iprint) =    0
Energy to compute the EDCS at (eV) =      6.00000000


  Energy (eV)= 6.0000      Energy (ryd)=0.4409919  xk=0.6640722


 AL coefficients
        -1     0.60000000000000E+01
         0     0.56321179995235E+01
         1     0.61792778353088E+01
         2     0.74743067993216E+01
         3     0.39704175270672E+01
         4     0.17677204524626E+01
         5    -0.63870224820440E-01
         6     0.41850462285791E-01
         7     0.36728686712208E-02
         8     0.16893174027373E-02

For comparison
        -1        6.00000     alcoef
         0        5.63212     alcoef
         1        6.17928     alcoef
         2        7.47431     alcoef
         3        3.97042     alcoef
         4        1.76772     alcoef
         5       -0.06387     alcoef
         6        0.04185     alcoef
         7        0.00367     alcoef
         8        0.00169     alcoef
 Total Cross Section (Angstrom^2) =  0.1981909735E+02
 Momentum Transfer Cross Section (Angstrom^2) =  0.1257092363E+02
 Differential Cross Section
   Ang   Cross Section (Angstrom^2)
     0.0    0.7002724400E+01
     1.0    0.6999731512E+01
     2.0    0.6990760226E+01
     3.0    0.6975832656E+01
     4.0    0.6954985562E+01
     5.0    0.6928270217E+01
     6.0    0.6895752217E+01
     7.0    0.6857511232E+01
     8.0    0.6813640719E+01
     9.0    0.6764247567E+01
    10.0    0.6709451712E+01
    11.0    0.6649385693E+01
    12.0    0.6584194168E+01
    13.0    0.6514033392E+01
    14.0    0.6439070651E+01
    15.0    0.6359483665E+01
    16.0    0.6275459952E+01
    17.0    0.6187196170E+01
    18.0    0.6094897425E+01
    19.0    0.5998776560E+01
    20.0    0.5899053425E+01
    21.0    0.5795954123E+01
    22.0    0.5689710255E+01
    23.0    0.5580558143E+01
    24.0    0.5468738053E+01
    25.0    0.5354493417E+01
    26.0    0.5238070049E+01
    27.0    0.5119715368E+01
    28.0    0.4999677627E+01
    29.0    0.4878205152E+01
    30.0    0.4755545591E+01
    31.0    0.4631945181E+01
    32.0    0.4507648030E+01
    33.0    0.4382895420E+01
    34.0    0.4257925133E+01
    35.0    0.4132970799E+01
    36.0    0.4008261271E+01
    37.0    0.3884020034E+01
    38.0    0.3760464629E+01
    39.0    0.3637806127E+01
    40.0    0.3516248616E+01
    41.0    0.3395988737E+01
    42.0    0.3277215246E+01
    43.0    0.3160108612E+01
    44.0    0.3044840651E+01
    45.0    0.2931574196E+01
    46.0    0.2820462805E+01
    47.0    0.2711650506E+01
    48.0    0.2605271571E+01
    49.0    0.2501450335E+01
    50.0    0.2400301054E+01
    51.0    0.2301927783E+01
    52.0    0.2206424310E+01
    53.0    0.2113874111E+01
    54.0    0.2024350348E+01
    55.0    0.1937915892E+01
    56.0    0.1854623389E+01
    57.0    0.1774515355E+01
    58.0    0.1697624299E+01
    59.0    0.1623972881E+01
    60.0    0.1553574101E+01
    61.0    0.1486431510E+01
    62.0    0.1422539455E+01
    63.0    0.1361883348E+01
    64.0    0.1304439960E+01
    65.0    0.1250177739E+01
    66.0    0.1199057150E+01
    67.0    0.1151031036E+01
    68.0    0.1106045000E+01
    69.0    0.1064037805E+01
    70.0    0.1024941786E+01
    71.0    0.9886832851E+00
    72.0    0.9551830905E+00
    73.0    0.9243568957E+00
    74.0    0.8961157629E+00
    75.0    0.8703665964E+00
    76.0    0.8470126220E+00
    77.0    0.8259538715E+00
    78.0    0.8070876687E+00
    79.0    0.7903091171E+00
    80.0    0.7755115862E+00
    81.0    0.7625871949E+00
    82.0    0.7514272897E+00
    83.0    0.7419229168E+00
    84.0    0.7339652855E+00
    85.0    0.7274462210E+00
    86.0    0.7222586054E+00
    87.0    0.7182968051E+00
    88.0    0.7154570821E+00
    89.0    0.7136379886E+00
    90.0    0.7127407431E+00
    91.0    0.7126695858E+00
    92.0    0.7133321134E+00
    93.0    0.7146395898E+00
    94.0    0.7165072342E+00
    95.0    0.7188544831E+00
    96.0    0.7216052265E+00
    97.0    0.7246880175E+00
    98.0    0.7280362538E+00
    99.0    0.7315883309E+00
   100.0    0.7352877673E+00
   101.0    0.7390832994E+00
   102.0    0.7429289483E+00
   103.0    0.7467840566E+00
   104.0    0.7506132959E+00
   105.0    0.7543866458E+00
   106.0    0.7580793438E+00
   107.0    0.7616718071E+00
   108.0    0.7651495270E+00
   109.0    0.7685029368E+00
   110.0    0.7717272533E+00
   111.0    0.7748222945E+00
   112.0    0.7777922724E+00
   113.0    0.7806455649E+00
   114.0    0.7833944660E+00
   115.0    0.7860549168E+00
   116.0    0.7886462188E+00
   117.0    0.7911907311E+00
   118.0    0.7937135533E+00
   119.0    0.7962421964E+00
   120.0    0.7988062421E+00
   121.0    0.8014369954E+00
   122.0    0.8041671290E+00
   123.0    0.8070303242E+00
   124.0    0.8100609097E+00
   125.0    0.8132934998E+00
   126.0    0.8167626345E+00
   127.0    0.8205024243E+00
   128.0    0.8245462009E+00
   129.0    0.8289261755E+00
   130.0    0.8336731089E+00
   131.0    0.8388159924E+00
   132.0    0.8443817444E+00
   133.0    0.8503949214E+00
   134.0    0.8568774488E+00
   135.0    0.8638483698E+00
   136.0    0.8713236161E+00
   137.0    0.8793158013E+00
   138.0    0.8878340378E+00
   139.0    0.8968837792E+00
   140.0    0.9064666890E+00
   141.0    0.9165805360E+00
   142.0    0.9272191179E+00
   143.0    0.9383722130E+00
   144.0    0.9500255614E+00
   145.0    0.9621608743E+00
   146.0    0.9747558732E+00
   147.0    0.9877843576E+00
   148.0    0.1001216301E+01
   149.0    0.1015017977E+01
   150.0    0.1029152109E+01
   151.0    0.1043578048E+01
   152.0    0.1058251982E+01
   153.0    0.1073127155E+01
   154.0    0.1088154126E+01
   155.0    0.1103281034E+01
   156.0    0.1118453892E+01
   157.0    0.1133616897E+01
   158.0    0.1148712750E+01
   159.0    0.1163682995E+01
   160.0    0.1178468366E+01
   161.0    0.1193009147E+01
   162.0    0.1207245528E+01
   163.0    0.1221117978E+01
   164.0    0.1234567609E+01
   165.0    0.1247536542E+01
   166.0    0.1259968271E+01
   167.0    0.1271808016E+01
   168.0    0.1283003073E+01
   169.0    0.1293503145E+01
   170.0    0.1303260663E+01
   171.0    0.1312231096E+01
   172.0    0.1320373230E+01
   173.0    0.1327649438E+01
   174.0    0.1334025923E+01
   175.0    0.1339472936E+01
   176.0    0.1343964967E+01
   177.0    0.1347480917E+01
   178.0    0.1350004230E+01
   179.0    0.1351523000E+01
   180.0    0.1352030056E+01
Time Now =        88.9642  Delta time =         0.0012 End EDCS
Time Now =        88.9643  Delta time =         0.0001 Finalize