----------------------------------------------------------------------
ePolyScat Version E
----------------------------------------------------------------------


+ Start of Input Records
#
# input file for test19
#
# electron scattering from CH4 using only local potential
#
  LMax   20     # maximum l to be used for wave functions
  LMaxA  12     # maximum l included at large r
  MMax 3        # maximum m about unique axes at high l
  RMax   8.5    # maximum R in inner grid
  EMax  50.0    # EMax, maximum asymptotic energy in eV
  EngForm      # Energy formulas
   0 2         # charge, formula type
   3           # number of terms in the formulas
   2.0 -1.0 1  # orbital occupation and coefficient for the K operators
   2.0 -1.0 1
   2.0 -1.0 1
  VCorr 'PZ'
  AsyPol
   0.25  # SwitchD, distance where switching function is down to 0.1
   1     # nterm, number of terms needed to define asymptotic potential
   1     # center for polarization term 1 is for C atom
   1     # ittyp type of polarization term, = 1 for spherically symmetric
         # = 2 for reading in the full tensor
   17.50 # value of the spherical polarizability
   3     # icrtyp, flag to determine where r match is, 3 for second crossing
         # or at nearest approach
   0     # ilntyp, flag to determine what matching line is used, 0 - use
         # l = 0 radial function as matching function
  FegeEng 13.0   # Energy correction (in eV) used in the fege potential
  LMaxK   10     # Maximum l in the K matirx
 ScatEng     # list of scattering energies
  0.1 0.5 2.0 10.0 20.0

 IterMax -1

Convert '/home/lucchese/ePolyScatE/tests/test19.g03' 'g03'
GetBlms
ExpOrb
GetPot

 ScatContSym 'A1'  # Scattering symmetry
Scat
#
 ScatContSym 'A2'  # Scattering symmetry
Scat
#
 ScatContSym 'E'  # Scattering symmetry
Scat
#
 ScatContSym 'T1'  # Scattering symmetry
Scat
#
 ScatContSym 'T2'  # Scattering symmetry
Scat
TotalCrossSection

+ End of input reached
+ Data Record LMax - 20
+ Data Record LMaxA - 12
+ Data Record MMax - 3
+ Data Record RMax - 8.5
+ Data Record EMax - 50.0
+ Data Record EngForm
+ 0 2 / 3 / 2.0 -1.0 1 / 2.0 -1.0 1 / 2.0 -1.0 1
+ Data Record VCorr - 'PZ'
+ Data Record AsyPol
+ 0.25 / 1 / 1 / 1 / 17.50 / 3 / 0
+ Data Record FegeEng - 13.0
+ Data Record LMaxK - 10
+ Data Record ScatEng - 0.1 0.5 2.0 10.0 20.0
+ Data Record IterMax - -1

+ Command Convert
+ '/home/lucchese/ePolyScatE/tests/test19.g03' 'g03'

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

Expansion center is (in Angstroms) -
     0.0000000000   0.0000000000   0.0000000000
CardFlag =    T
Normal Mode flag =    F
Selecting orbitals
from     1  to     5  number already selected     0
Number of orbitals selected is     5
Highest orbital read in is =    5
Time Now =         0.0471  Delta time =         0.0471 End g03cnv

Atoms found    5
Z =  6 r =   0.0000000000   0.0000000000   0.0000000000
Z =  1 r =   1.1819670050   1.1819670050   1.1819670050
Z =  1 r =  -1.1819670050  -1.1819670050   1.1819670050
Z =  1 r =   1.1819670050  -1.1819670050  -1.1819670050
Z =  1 r =  -1.1819670050   1.1819670050  -1.1819670050

+ Command GetBlms
+

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

Found point group  Td
Reduce angular grid using nthd =  1  nphid =  4
Found point group for abelian subgroup D2
Time Now =         0.0527  Delta time =         0.0057 End GetPGroup
List of unique axes
  N  Vector                      Z   R
  1  0.00000  0.00000  1.00000
  2  0.57735  0.57735  0.57735   1  2.04723
  3 -0.57735 -0.57735  0.57735   1  2.04723
  4  0.57735 -0.57735 -0.57735   1  2.04723
  5 -0.57735  0.57735 -0.57735   1  2.04723
List of corresponding x axes
  N  Vector
  1  1.00000  0.00000  0.00000
  2  0.81650 -0.40825 -0.40825
  3  0.81650 -0.40825  0.40825
  4  0.81650  0.40825  0.40825
  5  0.81650  0.40825 -0.40825
Determineing angular grid in GetAxMax  LmAx =   20  LMaxA =   12  LMaxAb =   40
For axis     1  mvals:
  0  1  2  3  4  5  6  7  8  9 10 11 12 -1 -1 -1 -1 -1 -1 -1
 -1
For axis     2  mvals:
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1  2  1  1  1  1  0  0
  0
For axis     3  mvals:
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1  2  1  1  1  1  0  0
  0
For axis     4  mvals:
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1  2  1  1  1  1  0  0
  0
For axis     5  mvals:
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1  2  1  1  1  1  0  0
  0
On the double L grid used for products
For axis     1  mvals:
  0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19
 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39
 40
For axis     2  mvals:
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 -1
For axis     3  mvals:
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 -1
For axis     4  mvals:
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 -1
For axis     5  mvals:
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 -1

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

Point group is Td
LMax = =   20
 The dimension of each irreducable representation is
    A1    (  1)    A2    (  1)    E     (  2)    T1    (  3)    T2    (  3)
 Number of symmetry operations in the abelian subgroup (excluding E) =    3
 The operations are -
     8    11    14
  Rep  Component  Sym Num  Num Found  Eigenvalues of abelian sub-group
 A1        1         1         19       1  1  1
 A2        1         2          4       1  1  1
 E         1         3         20       1  1  1
 E         2         4         20       1  1  1
 T1        1         5         24      -1 -1  1
 T1        2         6         24      -1  1 -1
 T1        3         7         24       1 -1 -1
 T2        1         8         38      -1 -1  1
 T2        2         9         38      -1  1 -1
 T2        3        10         38       1 -1 -1
Time Now =         3.7553  Delta time =         3.7025 End SymGen

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

Point group is D2
LMax = =   40
 The dimension of each irreducable representation is
    A     (  1)    B1    (  1)    B2    (  1)    B3    (  1)
 Number of symmetry operations in the abelian subgroup (excluding E) =    3
 The operations are -
     2     3     4
  Rep  Component  Sym Num  Num Found  Eigenvalues of abelian sub-group
 A         1         1        421       1  1  1
 B1        1         2        420       1 -1 -1
 B2        1         3        420      -1 -1  1
 B3        1         4        420      -1  1 -1
Time Now =        12.9370  Delta time =         9.1817 End SymGen

+ Command ExpOrb
+

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

Maximum R in the grid (RMax) =     8.50000
Factors to determine step sizes in the various regions:
In regions controlled by Gaussians (HFacGauss) =   30.0
In regions controlled by the wave length (HFacWave) =  120.0
Maximum asymptotic kinetic energy (EMAx) =  50.00000 eV
Factor to increase grid by (GridFac) =     1

    1  Center at =     0.00000  Alpha Max = 0.33980E+05
    2  Center at =     2.04723  Alpha Max = 0.82640E+02

Generated Grid

  irg  nin  ntot      step          R end
    1   32    32    0.57183E-04     0.00183
    2    8    40    0.60995E-04     0.00232
    3    8    48    0.77261E-04     0.00294
    4    8    56    0.97863E-04     0.00372
    5    8    64    0.12396E-03     0.00471
    6    8    72    0.15702E-03     0.00597
    7    8    80    0.19889E-03     0.00756
    8    8    88    0.25192E-03     0.00957
    9    8    96    0.31910E-03     0.01213
   10    8   104    0.40420E-03     0.01536
   11    8   112    0.51198E-03     0.01946
   12    8   120    0.64851E-03     0.02464
   13    8   128    0.82145E-03     0.03122
   14    8   136    0.10405E-02     0.03954
   15    8   144    0.13180E-02     0.05008
   16    8   152    0.16694E-02     0.06344
   17    8   160    0.21146E-02     0.08036
   18    8   168    0.26785E-02     0.10178
   19    8   176    0.33928E-02     0.12893
   20    8   184    0.42975E-02     0.16331
   21    8   192    0.54435E-02     0.20685
   22    8   200    0.68951E-02     0.26202
   23    8   208    0.87338E-02     0.33189
   24   64   272    0.10990E-01     1.03523
   25   56   328    0.10990E-01     1.65066
   26    8   336    0.10378E-01     1.73368
   27    8   344    0.82038E-02     1.79931
   28    8   352    0.64866E-02     1.85120
   29    8   360    0.51289E-02     1.89223
   30    8   368    0.40553E-02     1.92468
   31    8   376    0.32065E-02     1.95033
   32    8   384    0.25353E-02     1.97061
   33    8   392    0.20046E-02     1.98665
   34    8   400    0.15850E-02     1.99933
   35    8   408    0.12533E-02     2.00935
   36   32   440    0.11595E-02     2.04646
   37    8   448    0.96003E-04     2.04723
   38   32   480    0.11595E-02     2.08433
   39    8   488    0.12368E-02     2.09423
   40    8   496    0.15667E-02     2.10676
   41    8   504    0.19844E-02     2.12264
   42    8   512    0.25136E-02     2.14274
   43    8   520    0.31839E-02     2.16822
   44    8   528    0.40330E-02     2.20048
   45    8   536    0.51084E-02     2.24135
   46    8   544    0.64707E-02     2.29311
   47    8   552    0.81962E-02     2.35868
   48    8   560    0.10382E-01     2.44174
   49    8   568    0.13150E-01     2.54694
   50   64   632    0.13657E-01     3.42096
   51   64   696    0.13657E-01     4.29499
   52   64   760    0.13657E-01     5.16901
   53   64   824    0.13657E-01     6.04304
   54   64   888    0.13657E-01     6.91706
   55   64   952    0.13657E-01     7.79109
   56   48  1000    0.13657E-01     8.44661
   57    8  1008    0.66740E-02     8.50000
Time Now =        12.9381  Delta time =         0.0012 End GenGrid

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

Maximum scattering l (lmax) =   20
Maximum scattering m (mmaxs) =   20
Maximum numerical integration l (lmaxi) =   40
Maximum numerical integration m (mmaxi) =   40
Maximum l to include in the asymptotic region (lmasym) =   12
Parameter used to determine the cutoff points (PCutRd) =  0.10000000E-05 au
Maximum E used to determine grid (in eV) =       50.00000
Print flag (iprnfg) =    0
lmasymtyts =   12
 Actual value of lmasym found =     12
Number of regions of the same l expansion (NAngReg) =    9
Angular regions
    1 L =    2  from (    1)         0.00006  to (    7)         0.00040
    2 L =    3  from (    8)         0.00046  to (   95)         0.01181
    3 L =    7  from (   96)         0.01213  to (  191)         0.20141
    4 L =   11  from (  192)         0.20685  to (  239)         0.67257
    5 L =   12  from (  240)         0.68356  to (  311)         1.46383
    6 L =   16  from (  312)         1.47482  to (  327)         1.63967
    7 L =   20  from (  328)         1.65066  to (  592)         2.87470
    8 L =   16  from (  593)         2.88835  to ( 1000)         8.44661
    9 L =   12  from ( 1001)         8.45328  to ( 1008)         8.50000

For analytic integrations ntheta =     48  nphi =     24
For numerical integrations ntheti =     88 nphii =     44
Last grid points by processor WorkExp =     1.500
Proc id =   -1  Last grid point =       1
Proc id =    0  Last grid point =     232
Proc id =    1  Last grid point =     320
Proc id =    2  Last grid point =     368
Proc id =    3  Last grid point =     416
Proc id =    4  Last grid point =     456
Proc id =    5  Last grid point =     496
Proc id =    6  Last grid point =     536
Proc id =    7  Last grid point =     576
Proc id =    8  Last grid point =     632
Proc id =    9  Last grid point =     688
Proc id =   10  Last grid point =     744
Proc id =   11  Last grid point =     800
Proc id =   12  Last grid point =     856
Proc id =   13  Last grid point =     912
Proc id =   14  Last grid point =     960
Proc id =   15  Last grid point =    1008
Time Now =        14.0173  Delta time =         1.0791 End AngGCt

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


 R of maximum density
     1  A1    1 at max irg =   23  r =   0.16331
     2  A1    1 at max irg =   39  r =   1.47482
     3  T2    1 at max irg =   46  r =   1.92468
     4  T2    2 at max irg =   46  r =   1.92468
     5  T2    3 at max irg =   46  r =   1.92468

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

Rotation coefficients for orbital     2  grp =    2 A1    1
     2  1.0000000000

Rotation coefficients for orbital     3  grp =    3 T2    1
     3  0.0000000000    4  1.0000000000    5  0.0000000000

Rotation coefficients for orbital     4  grp =    3 T2    2
     3  1.0000000000    4  0.0000000000    5  0.0000000000

Rotation coefficients for orbital     5  grp =    3 T2    3
     3  0.0000000000    4  0.0000000000    5  1.0000000000
Number of orbital groups and degeneracis are         3
  1  1  3
Number of orbital groups and number of electrons when fully occupied
         3
  2  2  6
Time Now =        15.8243  Delta time =         1.8070 End RotOrb

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

 First orbital group to expand (mofr) =    1
 Last orbital group to expand (moto) =    3
Orbital     1 of  A1    1 symmetry normalization integral =  0.99999993
Orbital     2 of  A1    1 symmetry normalization integral =  0.99999524
Orbital     3 of  T2    1 symmetry normalization integral =  0.99998682
Time Now =        23.0130  Delta time =         7.1887 End ExpOrb

+ Command GetPot
+

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

Total density =     10.00000000
Time Now =        23.0519  Delta time =         0.0389 End Den

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

 vasymp =  0.10000000E+02 facnorm =  0.10000000E+01
Time Now =        23.0600  Delta time =         0.0081 Electronic part
Time Now =        23.0681  Delta time =         0.0081 End StPot

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

Time Now =        23.1260  Delta time =         0.0579 End VcpPol

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

Switching distance (SwitchD) =     0.25000
 Number of terms in the asymptotic polarization potential (nterm) =    1
Term =    1  At center =    1
Explicit coordinates =  0.00000000E+00  0.00000000E+00  0.00000000E+00
Type =    1
Last center is at (RCenterX) =   0.00000
 Radial matching parameter (icrtyp) =    3
 Matching line type (ilntyp) =    0
 Matching point is at r =   4.1968844259
First nonzero weight at R =        3.53022
Last point of the switching region R=        4.84125
Total asymptotic potential is   0.17500000E+02
Time Now =        23.4335  Delta time =         0.3075 End AsyPol
+ Data Record ScatContSym - 'A1'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.10000000E+00 eV (  0.36749326E-02 AU)
Time Now =        23.5038  Delta time =         0.0703 End Fege

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

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =A1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    19
Number of asymptotic solutions on the right (NAsymR) =     8
Number of asymptotic solutions on the left (NAsymL) =     8
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   11
Number of orthogonality constraints (NOrthUse) =    2
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   20
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        23.5662  Delta time =         0.0624 Energy independent setup

Compute solution for E =    0.1000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.64964862E+00
 i =  2  lval =   3  stpote = -0.16551760E-14
 i =  3  lval =   3  stpote =  0.25975382E-14
 i =  4  lval =   4  stpote = -0.67064348E+01
Number of asymptotic regions =      10
Final point in integration =   0.25477164E+03
Iter =   1 c.s. =      0.07386810 angs^2  rmsk=     0.00155276
     REAL PART -  Final k matrix
     ROW  1
  0.12329151E-01 0.31411063E-03-0.59040995E-05-0.13939314E-08-0.17208215E-10
  0.61808904E-13-0.47941932E-14 0.66775427E-16
     ROW  2
  0.31411063E-03 0.12934454E-02-0.12879752E-03-0.11185926E-04-0.94635711E-07
 -0.13580165E-11-0.10587188E-10 0.73610986E-13
     ROW  3
 -0.59040996E-05-0.12879752E-03 0.57855863E-03 0.82575283E-06 0.52472490E-05
 -0.55079189E-07 0.42261789E-12-0.30997803E-11
     ROW  4
 -0.13939355E-08-0.11185926E-04 0.82575283E-06 0.18662308E-03 0.17451426E-04
  0.10838818E-06 0.27919899E-05-0.13467402E-07
     ROW  5
 -0.17208333E-10-0.94635711E-07 0.52472490E-05 0.17451426E-04 0.11991965E-03
 -0.10418240E-04 0.11844656E-06-0.18103856E-05
     ROW  6
  0.61809912E-13-0.13580092E-11-0.55079190E-07 0.10838818E-06-0.10418240E-04
  0.81045357E-04 0.26156263E-05 0.62712590E-07
     ROW  7
 -0.47942372E-14-0.10587266E-10 0.42261928E-12 0.27919899E-05 0.11844656E-06
  0.26156263E-05 0.57379034E-04-0.52054320E-05
     ROW  8
  0.66776491E-16 0.73612587E-13-0.30997982E-11-0.13467402E-07-0.18103856E-05
  0.62712590E-07-0.52054320E-05 0.42018307E-04
 eigenphases
  0.4036572E-04  0.5860917E-04  0.7854706E-04  0.1183767E-03  0.1909114E-03
  0.5559252E-03  0.1307312E-02  0.1233747E-01
 eigenphase sum 0.146875E-01  scattering length=  -0.17133
 eps+pi 0.315628E+01  eps+2*pi 0.629787E+01

Iter =   1 c.s. =      0.07386810 angs^2  rmsk=     0.00155276
Time Now =        25.4738  Delta time =         1.9076 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+00 eV (  0.18374663E-01 AU)
Time Now =        25.5423  Delta time =         0.0685 End Fege

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

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =A1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    19
Number of asymptotic solutions on the right (NAsymR) =     8
Number of asymptotic solutions on the left (NAsymL) =     8
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   11
Number of orthogonality constraints (NOrthUse) =    2
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   20
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        25.6056  Delta time =         0.0633 Energy independent setup

Compute solution for E =    0.5000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.63040273E+00
 i =  2  lval =   3  stpote = -0.13229426E-14
 i =  3  lval =   3  stpote =  0.23357525E-14
 i =  4  lval =   4  stpote = -0.67063135E+01
Number of asymptotic regions =      13
Final point in integration =   0.17174362E+03
Iter =   1 c.s. =      1.91778135 angs^2  rmsk=     0.01786889
     REAL PART -  Final k matrix
     ROW  1
 -0.14273832E+00 0.18273361E-02-0.74814080E-04-0.87716891E-07-0.24311283E-08
  0.20298578E-10-0.16378424E-11 0.43556011E-13
     ROW  2
  0.18273361E-02 0.65816792E-02-0.64770178E-03-0.55091822E-04-0.10776065E-05
  0.19448172E-09-0.65877272E-09 0.11673881E-10
     ROW  3
 -0.74814081E-04-0.64770178E-03 0.28891454E-02 0.92452890E-05 0.25632169E-04
 -0.62402346E-06 0.11157497E-09-0.19234986E-09
     ROW  4
 -0.87717005E-07-0.55091822E-04 0.92452890E-05 0.94490166E-03 0.87599833E-04
  0.11966998E-05 0.12912181E-04-0.15395479E-06
     ROW  5
 -0.24311359E-08-0.10776065E-05 0.25632169E-04 0.87599833E-04 0.60669489E-03
 -0.52310511E-04 0.13134242E-05-0.82537636E-05
     ROW  6
  0.20298742E-10 0.19448229E-09-0.62402347E-06 0.11966998E-05-0.52310511E-04
  0.41226651E-03 0.13242755E-04 0.69289058E-06
     ROW  7
 -0.16378691E-11-0.65877493E-09 0.11157507E-09 0.12912181E-04 0.13134242E-05
  0.13242755E-04 0.29578765E-03-0.26341602E-04
     ROW  8
  0.43557095E-13 0.11673983E-10-0.19235032E-09-0.15395479E-06-0.82537636E-05
  0.69289058E-06-0.26341602E-04 0.21734486E-03
 eigenphases
 -0.1418025E+00  0.2090783E-03  0.3019390E-03  0.3997138E-03  0.5992621E-03
  0.9661640E-03  0.2779484E-02  0.6714461E-02
 eigenphase sum-0.129832E+00  scattering length=   0.68110
 eps+pi 0.301176E+01  eps+2*pi 0.615335E+01

Iter =   1 c.s. =      1.91778135 angs^2  rmsk=     0.01786889
Time Now =        27.7212  Delta time =         2.1156 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.20000000E+01 eV (  0.73498652E-01 AU)
Time Now =        27.7898  Delta time =         0.0685 End Fege

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

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =A1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    19
Number of asymptotic solutions on the right (NAsymR) =     8
Number of asymptotic solutions on the left (NAsymL) =     8
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   11
Number of orthogonality constraints (NOrthUse) =    2
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   20
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        27.8530  Delta time =         0.0632 Energy independent setup

Compute solution for E =    2.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.56737118E+00
 i =  2  lval =   3  stpote = -0.13566693E-14
 i =  3  lval =   3  stpote =  0.19718451E-14
 i =  4  lval =   4  stpote = -0.67059160E+01
Number of asymptotic regions =      17
Final point in integration =   0.11981198E+03
Iter =   1 c.s. =      6.07049619 angs^2  rmsk=     0.07277640
     REAL PART -  Final k matrix
     ROW  1
 -0.58115099E+00 0.11785802E-01-0.92142046E-03-0.43790290E-05-0.23771607E-06
  0.38638067E-08-0.46734370E-09 0.22112585E-10
     ROW  2
  0.11785802E-01 0.27933236E-01-0.27182103E-02-0.22048693E-03-0.90896056E-05
  0.21583005E-07-0.21328023E-07 0.80219726E-09
     ROW  3
 -0.92142044E-03-0.27182102E-02 0.11531566E-01 0.75312076E-04 0.10176030E-03
 -0.49142476E-05 0.86067328E-08-0.63388443E-08
     ROW  4
 -0.43790302E-05-0.22048693E-03 0.75312076E-04 0.38135780E-02 0.35114836E-03
  0.93515137E-05 0.50913376E-04-0.12626854E-05
     ROW  5
 -0.23771625E-06-0.90896063E-05 0.10176030E-03 0.35114836E-03 0.24379226E-02
 -0.20958968E-03 0.10515640E-04-0.32261368E-04
     ROW  6
  0.38638138E-08 0.21583027E-07-0.49142478E-05 0.93515137E-05-0.20958968E-03
  0.16496234E-02 0.53059649E-04 0.55374014E-05
     ROW  7
 -0.46734545E-09-0.21328066E-07 0.86067369E-08 0.50913376E-04 0.10515640E-04
  0.53059649E-04 0.11958204E-02-0.10570468E-03
     ROW  8
  0.22112749E-10 0.80220133E-09-0.63388529E-08-0.12626854E-05-0.32261368E-04
  0.55374014E-05-0.10570468E-03 0.87859700E-03
 eigenphases
 -0.5266160E+00  0.8456209E-03  0.1220034E-02  0.1600058E-02  0.2409172E-02
  0.3897073E-02  0.1109532E-01  0.2859403E-01
 eigenphase sum-0.476955E+00  scattering length=   1.34779
 eps+pi 0.266464E+01  eps+2*pi 0.580623E+01

Iter =   1 c.s. =      6.07049619 angs^2  rmsk=     0.07277640
Time Now =        30.0850  Delta time =         2.2320 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.10000000E+02 eV (  0.36749326E+00 AU)
Time Now =        30.1535  Delta time =         0.0685 End Fege

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

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =A1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    19
Number of asymptotic solutions on the right (NAsymR) =     8
Number of asymptotic solutions on the left (NAsymL) =     8
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   11
Number of orthogonality constraints (NOrthUse) =    2
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   20
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        30.2166  Delta time =         0.0632 Energy independent setup

Compute solution for E =   10.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.37004250E+00
 i =  2  lval =   3  stpote = -0.14547721E-14
 i =  3  lval =   3  stpote =  0.31024409E-14
 i =  4  lval =   4  stpote = -0.67046716E+01
Number of asymptotic regions =      24
Final point in integration =   0.78841920E+02
Iter =   1 c.s. =      4.88040640 angs^2  rmsk=     0.63467599
     REAL PART -  Final k matrix
     ROW  1
 -0.50109510E+01 0.55602659E+00-0.93058628E-01-0.26755823E-02-0.31595959E-03
  0.11330322E-04-0.24710304E-05 0.24808948E-06
     ROW  2
  0.55602658E+00 0.17149166E+00-0.22634427E-01-0.19212962E-02-0.19924972E-03
  0.44359477E-05-0.18016762E-05 0.18823012E-06
     ROW  3
 -0.93058627E-01-0.22634427E-01 0.60530995E-01 0.10797504E-02 0.62309797E-03
 -0.58014357E-04 0.14451742E-05-0.41375188E-06
     ROW  4
 -0.26755824E-02-0.19212962E-02 0.10797504E-02 0.19569608E-01 0.18119275E-02
  0.92922349E-04 0.25722207E-03-0.15657270E-04
     ROW  5
 -0.31595960E-03-0.19924972E-03 0.62309797E-03 0.18119275E-02 0.12287288E-01
 -0.10555188E-02 0.11999120E-03-0.16062243E-03
     ROW  6
  0.11330323E-04 0.44359477E-05-0.58014357E-04 0.92922349E-04-0.10555188E-02
  0.81886827E-02 0.26546398E-03 0.62538115E-04
     ROW  7
 -0.24710307E-05-0.18016764E-05 0.14451742E-05 0.25722207E-03 0.11999120E-03
  0.26546398E-03 0.60549544E-02-0.53021213E-03
     ROW  8
  0.24808952E-06 0.18823014E-06-0.41375195E-06-0.15657270E-04-0.16062243E-03
  0.62538115E-04-0.53021213E-03 0.44277437E-02
 eigenphases
 -0.1376114E+01  0.4264221E-02  0.6168572E-02  0.7948947E-02  0.1213869E-01
  0.1995708E-01  0.5608672E-01  0.2322275E+00
 eigenphase sum-0.103732E+01  scattering length=   1.97502
 eps+pi 0.210427E+01  eps+2*pi 0.524586E+01

Iter =   1 c.s. =      4.88040640 angs^2  rmsk=     0.63467599
Time Now =        32.7113  Delta time =         2.4947 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.20000000E+02 eV (  0.73498652E+00 AU)
Time Now =        32.7799  Delta time =         0.0686 End Fege

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

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =A1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    19
Number of asymptotic solutions on the right (NAsymR) =     8
Number of asymptotic solutions on the left (NAsymL) =     8
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   11
Number of orthogonality constraints (NOrthUse) =    2
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   20
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        32.8430  Delta time =         0.0631 Energy independent setup

Compute solution for E =   20.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.25791547E+00
 i =  2  lval =   3  stpote = -0.18013639E-14
 i =  3  lval =   3  stpote =  0.35498688E-14
 i =  4  lval =   4  stpote = -0.67039645E+01
Number of asymptotic regions =      27
Final point in integration =   0.64462314E+02
Iter =   1 c.s. =      3.15126786 angs^2  rmsk=     0.94853459
     REAL PART -  Final k matrix
     ROW  1
  0.63312040E+01-0.25627437E+01 0.59025647E+00 0.33781272E-01 0.56277650E-02
 -0.28637919E-03 0.92300598E-04-0.13088504E-04
     ROW  2
 -0.25627437E+01 0.18150060E+01-0.40248682E+00-0.26557238E-01-0.43691365E-02
  0.21240512E-03-0.76154042E-04 0.10807696E-04
     ROW  3
  0.59025647E+00-0.40248682E+00 0.20148122E+00 0.89466399E-02 0.28255465E-02
 -0.26879837E-03 0.29741319E-04-0.61862449E-05
     ROW  4
  0.33781272E-01-0.26557238E-01 0.89466399E-02 0.41306522E-01 0.42656225E-02
  0.23443732E-03 0.62653851E-03-0.56802352E-04
     ROW  5
  0.56277651E-02-0.43691366E-02 0.28255465E-02 0.42656225E-02 0.25044865E-01
 -0.22493132E-02 0.36315268E-03-0.35398605E-03
     ROW  6
 -0.28637920E-03 0.21240513E-03-0.26879838E-03 0.23443732E-03-0.22493132E-02
  0.16328508E-01 0.54168300E-03 0.18208817E-03
     ROW  7
  0.92300604E-04-0.76154046E-04 0.29741319E-04 0.62653851E-03 0.36315267E-03
  0.54168300E-03 0.12226531E-01-0.10754156E-02
     ROW  8
 -0.13088506E-04 0.10807697E-04-0.61862453E-05-0.56802352E-04-0.35398604E-03
  0.18208817E-03-0.10754156E-02 0.88987019E-02
 eigenphases
  0.8565287E-02  0.1243777E-01  0.1581250E-01  0.2458808E-01  0.4178087E-01
  0.1063267E+00  0.6007348E+00  0.1439222E+01
 eigenphase sum 0.224947E+01  scattering length=   1.02273
 eps+pi 0.539106E+01  eps+2*pi 0.853265E+01

Iter =   1 c.s. =      3.15126786 angs^2  rmsk=     0.94853459
Time Now =        35.4836  Delta time =         2.6406 End ScatStab
+ Data Record ScatContSym - 'A2'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.10000000E+00 eV (  0.36749326E-02 AU)
Time Now =        35.5524  Delta time =         0.0687 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) =A2
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =     4
Number of asymptotic solutions on the right (NAsymR) =     3
Number of asymptotic solutions on the left (NAsymL) =     3
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =    4
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   12
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        35.6153  Delta time =         0.0630 Energy independent setup

Compute solution for E =    0.1000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.64964862E+00
 i =  2  lval =   3  stpote = -0.16551760E-14
 i =  3  lval =   3  stpote =  0.25975382E-14
 i =  4  lval =   4  stpote = -0.67064348E+01
Number of asymptotic regions =      10
Final point in integration =   0.25477164E+03
Iter =   1 c.s. =      0.00001898 angs^2  rmsk=     0.00006636
     REAL PART -  Final k matrix
     ROW  1
  0.18586978E-03 0.23080212E-05-0.16521524E-07
     ROW  2
  0.23080212E-05 0.57325100E-04-0.39834294E-05
     ROW  3
 -0.16521524E-07-0.39834294E-05 0.41923346E-04
 eigenphases
  0.4095215E-04  0.5825481E-04  0.1859113E-03
 eigenphase sum 0.285118E-03  scattering length=  -0.00333
 eps+pi 0.314188E+01  eps+2*pi 0.628347E+01

Iter =   1 c.s. =      0.00001898 angs^2  rmsk=     0.00006636
Time Now =        35.8049  Delta time =         0.1895 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+00 eV (  0.18374663E-01 AU)
Time Now =        35.8733  Delta time =         0.0684 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) =A2
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =     4
Number of asymptotic solutions on the right (NAsymR) =     3
Number of asymptotic solutions on the left (NAsymL) =     3
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =    4
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   12
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        35.9576  Delta time =         0.0843 Energy independent setup

Compute solution for E =    0.5000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.63040273E+00
 i =  2  lval =   3  stpote = -0.13229426E-14
 i =  3  lval =   3  stpote =  0.23357525E-14
 i =  4  lval =   4  stpote = -0.67063135E+01
Number of asymptotic regions =      13
Final point in integration =   0.17174362E+03
Iter =   1 c.s. =      0.00009689 angs^2  rmsk=     0.00033530
     REAL PART -  Final k matrix
     ROW  1
  0.93643237E-03 0.10673760E-04-0.18751700E-06
     ROW  2
  0.10673760E-04 0.29517640E-03-0.20157732E-04
     ROW  3
 -0.18751700E-06-0.20157732E-04 0.21626572E-03
 eigenphases
  0.2114072E-03  0.2998569E-03  0.9366101E-03
 eigenphase sum 0.144787E-02  scattering length=  -0.00755
 eps+pi 0.314304E+01  eps+2*pi 0.628463E+01

Iter =   1 c.s. =      0.00009689 angs^2  rmsk=     0.00033530
Time Now =        36.1947  Delta time =         0.2372 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.20000000E+01 eV (  0.73498652E-01 AU)
Time Now =        36.2631  Delta time =         0.0684 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) =A2
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =     4
Number of asymptotic solutions on the right (NAsymR) =     3
Number of asymptotic solutions on the left (NAsymL) =     3
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =    4
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   12
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        36.3475  Delta time =         0.0844 Energy independent setup

Compute solution for E =    2.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.56737118E+00
 i =  2  lval =   3  stpote = -0.13566693E-14
 i =  3  lval =   3  stpote =  0.19718451E-14
 i =  4  lval =   4  stpote = -0.67059160E+01
Number of asymptotic regions =      17
Final point in integration =   0.11981198E+03
Iter =   1 c.s. =      0.00038820 angs^2  rmsk=     0.00134233
     REAL PART -  Final k matrix
     ROW  1
  0.37449948E-02 0.42072719E-04-0.14942250E-05
     ROW  2
  0.42072719E-04 0.11908949E-02-0.80887165E-04
     ROW  3
 -0.14942250E-05-0.80887165E-04 0.86990354E-03
 eigenphases
  0.8506489E-03  0.1209453E-02  0.3745673E-02
 eigenphase sum 0.580577E-02  scattering length=  -0.01514
 eps+pi 0.314740E+01  eps+2*pi 0.628899E+01

Iter =   1 c.s. =      0.00038820 angs^2  rmsk=     0.00134233
Time Now =        36.5658  Delta time =         0.2183 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.10000000E+02 eV (  0.36749326E+00 AU)
Time Now =        36.6343  Delta time =         0.0685 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) =A2
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =     4
Number of asymptotic solutions on the right (NAsymR) =     3
Number of asymptotic solutions on the left (NAsymL) =     3
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =    4
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   12
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        36.7182  Delta time =         0.0840 Energy independent setup

Compute solution for E =   10.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.37004250E+00
 i =  2  lval =   3  stpote = -0.14547721E-14
 i =  3  lval =   3  stpote =  0.31024409E-14
 i =  4  lval =   4  stpote = -0.67046716E+01
Number of asymptotic regions =      24
Final point in integration =   0.78841920E+02
Iter =   1 c.s. =      0.00194165 angs^2  rmsk=     0.00671375
     REAL PART -  Final k matrix
     ROW  1
  0.18722695E-01 0.21049340E-03-0.15837377E-04
     ROW  2
  0.21049340E-03 0.59982078E-02-0.40536951E-03
     ROW  3
 -0.15837377E-04-0.40536951E-03 0.43283016E-02
 eigenphases
  0.4235005E-02  0.6087887E-02  0.1872402E-01
 eigenphase sum 0.290469E-01  scattering length=  -0.03389
 eps+pi 0.317064E+01  eps+2*pi 0.631223E+01

Iter =   1 c.s. =      0.00194165 angs^2  rmsk=     0.00671375
Time Now =        36.9381  Delta time =         0.2199 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.20000000E+02 eV (  0.73498652E+00 AU)
Time Now =        37.0078  Delta time =         0.0697 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) =A2
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =     4
Number of asymptotic solutions on the right (NAsymR) =     3
Number of asymptotic solutions on the left (NAsymL) =     3
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =    4
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   12
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        37.0954  Delta time =         0.0876 Energy independent setup

Compute solution for E =   20.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.25791547E+00
 i =  2  lval =   3  stpote = -0.18013639E-14
 i =  3  lval =   3  stpote =  0.35498688E-14
 i =  4  lval =   4  stpote = -0.67039645E+01
Number of asymptotic regions =      27
Final point in integration =   0.64462314E+02
Iter =   1 c.s. =      0.00398897 angs^2  rmsk=     0.01361551
     REAL PART -  Final k matrix
     ROW  1
  0.38040737E-01 0.49742580E-03-0.48615875E-04
     ROW  2
  0.49742580E-03 0.12057761E-01-0.81973867E-03
     ROW  3
 -0.48615875E-04-0.81973867E-03 0.86085424E-02
 eigenphases
  0.8423307E-02  0.1223253E-01  0.3803205E-01
 eigenphase sum 0.586879E-01  scattering length=  -0.04846
 eps+pi 0.320028E+01  eps+2*pi 0.634187E+01

Iter =   1 c.s. =      0.00398897 angs^2  rmsk=     0.01361551
Time Now =        37.3168  Delta time =         0.2214 End ScatStab
+ Data Record ScatContSym - 'E'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.10000000E+00 eV (  0.36749326E-02 AU)
Time Now =        37.3855  Delta time =         0.0687 End Fege

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

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =E
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    20
Number of asymptotic solutions on the right (NAsymR) =    10
Number of asymptotic solutions on the left (NAsymL) =    10
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   14
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   17
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        37.4696  Delta time =         0.0841 Energy independent setup

Compute solution for E =    0.1000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.64964862E+00
 i =  2  lval =   3  stpote = -0.16551760E-14
 i =  3  lval =   3  stpote =  0.25975382E-14
 i =  4  lval =   4  stpote = -0.67064348E+01
Number of asymptotic regions =      10
Final point in integration =   0.25477164E+03
Iter =   1 c.s. =      0.00728045 angs^2  rmsk=     0.00038996
     REAL PART -  Final k matrix
     ROW  1
  0.38338070E-02 0.55698958E-05 0.20903807E-04-0.26458131E-06 0.44599882E-11
  0.36096166E-11-0.29160555E-10-0.26915327E-12 0.60329898E-16 0.64568700E-15
     ROW  2
  0.55698958E-05 0.58077182E-03 0.27747912E-04 0.36858673E-06 0.57111025E-05
 -0.44032103E-07-0.24013551E-07 0.25529132E-12-0.35619305E-11-0.36307125E-12
     ROW  3
  0.20903807E-04 0.27747912E-04 0.31272469E-03-0.27563709E-04 0.24033702E-06
  0.47333145E-06-0.38666807E-05-0.24962918E-07-0.10009607E-12-0.59836642E-13
     ROW  4
 -0.26458131E-06 0.36858673E-06-0.27563709E-04 0.18568202E-03 0.60674505E-05
  0.73514184E-08 0.18115233E-06 0.21967262E-05-0.22692900E-08-0.17599256E-07
     ROW  5
  0.44600087E-11 0.57111025E-05 0.24033702E-06 0.60674505E-05 0.12006214E-03
 -0.73389283E-05-0.67325839E-05 0.61822724E-07-0.19102455E-05-0.19530392E-06
     ROW  6
  0.36096449E-11-0.44032103E-07 0.47333145E-06 0.73514184E-08-0.73389283E-05
  0.81071879E-04-0.51634226E-07-0.39696574E-12 0.38395542E-07 0.39255626E-08
     ROW  7
 -0.29160790E-10-0.24013551E-07-0.38666807E-05 0.18115233E-06-0.67325839E-05
 -0.51634226E-07 0.81325755E-04 0.73981104E-05 0.45738866E-07 0.31106195E-07
     ROW  8
 -0.26915918E-12 0.25529116E-12-0.24962918E-07 0.21967262E-05 0.61822724E-07
 -0.39696572E-12 0.73981104E-05 0.57284705E-04-0.17504122E-05-0.45784491E-05
     ROW  9
  0.60334933E-16-0.35619511E-11-0.10009622E-12-0.22692900E-08-0.19102455E-05
  0.38395542E-07 0.45738866E-07-0.17504122E-05 0.42045288E-04 0.64928393E-08
     ROW 10
  0.64573080E-15-0.36307337E-12-0.59836320E-13-0.17599256E-07-0.19530392E-06
  0.39255626E-08 0.31106195E-07-0.45784491E-05 0.64928393E-08 0.41921270E-04
 eigenphases
  0.4038517E-04  0.4198717E-04  0.5658924E-04  0.7927470E-04  0.8282190E-04
  0.1218773E-03  0.1804944E-03  0.3156446E-03  0.5836808E-03  0.3833922E-02
 eigenphase sum 0.533668E-02  scattering length=  -0.06225
 eps+pi 0.314693E+01  eps+2*pi 0.628852E+01

Iter =   1 c.s. =      0.00728045 angs^2  rmsk=     0.00038996
Time Now =        38.6143  Delta time =         1.1447 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+00 eV (  0.18374663E-01 AU)
Time Now =        38.6828  Delta time =         0.0685 End Fege

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

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =E
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    20
Number of asymptotic solutions on the right (NAsymR) =    10
Number of asymptotic solutions on the left (NAsymL) =    10
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   14
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   17
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        38.7883  Delta time =         0.1054 Energy independent setup

Compute solution for E =    0.5000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.63040273E+00
 i =  2  lval =   3  stpote = -0.13229426E-14
 i =  3  lval =   3  stpote =  0.23357525E-14
 i =  4  lval =   4  stpote = -0.67063135E+01
Number of asymptotic regions =      13
Final point in integration =   0.17174362E+03
Iter =   1 c.s. =      0.03794133 angs^2  rmsk=     0.00199093
     REAL PART -  Final k matrix
     ROW  1
  0.19583716E-01 0.62987310E-04 0.10369816E-03-0.29458182E-05 0.12776722E-08
  0.21507507E-09-0.18219308E-08-0.40082229E-10 0.19403499E-13 0.27756445E-12
     ROW  2
  0.62987310E-04 0.29134822E-02 0.13902538E-03 0.40779840E-05 0.27897165E-04
 -0.49847407E-06-0.27533513E-06 0.12928567E-10-0.22031603E-09-0.22823080E-10
     ROW  3
  0.10369816E-03 0.13902538E-03 0.15755649E-02-0.13819678E-03 0.26766378E-05
  0.22714200E-05-0.18557687E-04-0.28368322E-06-0.20736254E-10 0.19820495E-10
     ROW  4
 -0.29458183E-05 0.40779840E-05-0.13819678E-03 0.93435272E-03 0.30455674E-04
  0.79484750E-07 0.20137903E-05 0.10159218E-04-0.26159409E-07-0.19978969E-06
     ROW  5
  0.12776739E-08 0.27897165E-04 0.26766378E-05 0.30455674E-04 0.60828528E-03
 -0.36849272E-04-0.33804863E-04 0.68375326E-06-0.87089841E-05-0.89044808E-06
     ROW  6
  0.21507597E-09-0.49847407E-06 0.22714200E-05 0.79484750E-07-0.36849272E-04
  0.41256315E-03-0.58009265E-06-0.59380920E-10 0.42462873E-06 0.43413914E-07
     ROW  7
 -0.18219387E-08-0.27533513E-06-0.18557687E-04 0.20137903E-05-0.33804863E-04
 -0.58009265E-06 0.41542589E-03 0.37456467E-04 0.50520655E-06 0.34235150E-06
     ROW  8
 -0.40082672E-10 0.12928556E-10-0.28368322E-06 0.10159218E-04 0.68375326E-06
 -0.59380919E-10 0.37456467E-04 0.29472145E-03-0.88577725E-05-0.23168738E-04
     ROW  9
  0.19404115E-13-0.22031656E-09-0.20736262E-10-0.26159409E-07-0.87089841E-05
  0.42462873E-06 0.50520655E-06-0.88577725E-05 0.21765013E-03 0.74141175E-07
     ROW 10
  0.27757143E-12-0.22823135E-10 0.19820513E-10-0.19978969E-06-0.89044808E-06
  0.43413914E-07 0.34235150E-06-0.23168738E-04 0.74141175E-07 0.21624240E-03
 eigenphases
  0.2086104E-03  0.2172857E-03  0.2911254E-03  0.4035552E-03  0.4230777E-03
  0.6173570E-03  0.9085011E-03  0.1590090E-02  0.2927834E-02  0.1958205E-01
 eigenphase sum 0.271695E-01  scattering length=  -0.14176
 eps+pi 0.316876E+01  eps+2*pi 0.631035E+01

Iter =   1 c.s. =      0.03794133 angs^2  rmsk=     0.00199093
Time Now =        39.9258  Delta time =         1.1375 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.20000000E+01 eV (  0.73498652E-01 AU)
Time Now =        39.9943  Delta time =         0.0685 End Fege

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

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =E
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    20
Number of asymptotic solutions on the right (NAsymR) =    10
Number of asymptotic solutions on the left (NAsymL) =    10
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   14
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   17
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        40.1066  Delta time =         0.1123 Energy independent setup

Compute solution for E =    2.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.56737118E+00
 i =  2  lval =   3  stpote = -0.13566693E-14
 i =  3  lval =   3  stpote =  0.19718451E-14
 i =  4  lval =   4  stpote = -0.67059160E+01
Number of asymptotic regions =      17
Final point in integration =   0.11981198E+03
Iter =   1 c.s. =      0.18173326 angs^2  rmsk=     0.00874444
     REAL PART -  Final k matrix
     ROW  1
  0.86244187E-01 0.56630266E-03 0.43635549E-03-0.23683077E-04 0.10515372E-06
  0.53397560E-08-0.60238034E-07-0.25711573E-08-0.45904352E-11 0.34545289E-10
     ROW  2
  0.56630266E-03 0.11712566E-01 0.56090103E-03 0.31605736E-04 0.11068483E-03
 -0.39138244E-05-0.22772040E-05 0.23166160E-09-0.71479051E-08-0.79044765E-09
     ROW  3
  0.43635549E-03 0.56090103E-03 0.63566652E-02-0.55441372E-03 0.21360841E-04
  0.89822193E-05-0.73541250E-04-0.23164251E-05-0.14839174E-08 0.18657266E-08
     ROW  4
 -0.23683079E-04 0.31605736E-04-0.55441372E-03 0.37291503E-02 0.12203296E-03
  0.56798439E-06 0.16167602E-04 0.40054808E-04-0.22148431E-06-0.15932601E-05
     ROW  5
  0.10515377E-06 0.11068483E-03 0.21360841E-04 0.12203296E-03 0.24503846E-02
 -0.14765130E-03-0.13545887E-03 0.54189437E-05-0.34037395E-04-0.34827127E-05
     ROW  6
  0.53397701E-08-0.39138245E-05 0.89822193E-05 0.56798440E-06-0.14765130E-03
  0.16519331E-02-0.45978328E-05-0.40832566E-08 0.34061279E-05 0.34822173E-06
     ROW  7
 -0.60238182E-07-0.22772040E-05-0.73541250E-04 0.16167602E-04-0.13545887E-03
 -0.45978328E-05 0.16749543E-02 0.15009634E-03 0.40330814E-05 0.26950403E-05
     ROW  8
 -0.25711733E-08 0.23166110E-09-0.23164251E-05 0.40054808E-04 0.54189437E-05
 -0.40832566E-08 0.15009634E-03 0.11873177E-02-0.35543151E-04-0.92967542E-04
     ROW  9
 -0.45904322E-11-0.71479147E-08-0.14839177E-08-0.22148431E-06-0.34037395E-04
  0.34061279E-05 0.40330814E-05-0.35543151E-04 0.88101461E-03 0.60839842E-06
     ROW 10
  0.34545776E-10-0.79044873E-09 0.18657273E-08-0.15932601E-05-0.34827127E-05
  0.34822173E-06 0.26950403E-05-0.92967542E-04 0.60839842E-06 0.86972383E-03
 eigenphases
  0.8397451E-03  0.8789282E-03  0.1173339E-02  0.1616379E-02  0.1705265E-02
  0.2485653E-02  0.3627756E-02  0.6412641E-02  0.1176661E-01  0.8603800E-01
 eigenphase sum 0.116544E+00  scattering length=  -0.30536
 eps+pi 0.325814E+01  eps+2*pi 0.639973E+01

Iter =   1 c.s. =      0.18173326 angs^2  rmsk=     0.00874444
Time Now =        41.2485  Delta time =         1.1420 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.10000000E+02 eV (  0.36749326E+00 AU)
Time Now =        41.3169  Delta time =         0.0684 End Fege

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

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =E
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    20
Number of asymptotic solutions on the right (NAsymR) =    10
Number of asymptotic solutions on the left (NAsymL) =    10
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   14
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   17
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        41.4284  Delta time =         0.1115 Energy independent setup

Compute solution for E =   10.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.37004250E+00
 i =  2  lval =   3  stpote = -0.14547721E-14
 i =  3  lval =   3  stpote =  0.31024409E-14
 i =  4  lval =   4  stpote = -0.67046716E+01
Number of asymptotic regions =      24
Final point in integration =   0.78841920E+02
Iter =   1 c.s. =      0.86646229 angs^2  rmsk=     0.04671806
     REAL PART -  Final k matrix
     ROW  1
  0.46073314E+00 0.10098794E-01 0.54570730E-02-0.50139904E-03 0.22595420E-04
 -0.71874874E-07-0.81066674E-05-0.63276530E-06-0.14190439E-07 0.14931797E-07
     ROW  2
  0.10098794E-01 0.62066865E-01 0.35856902E-02 0.32149903E-03 0.66196250E-03
 -0.45594217E-04-0.34485460E-04-0.14571211E-06-0.40726275E-06-0.55557391E-07
     ROW  3
  0.54570730E-02 0.35856902E-02 0.33215722E-01-0.30057171E-02 0.24978215E-03
  0.45233060E-04-0.39106285E-03-0.29287813E-04-0.19223274E-06 0.26601785E-06
     ROW  4
 -0.50139904E-03 0.32149903E-03-0.30057171E-02 0.18593357E-01 0.62222545E-03
  0.22555375E-05 0.18805614E-03 0.20182651E-03-0.31280346E-05-0.16949794E-04
     ROW  5
  0.22595420E-04 0.66196250E-03 0.24978215E-03 0.62222545E-03 0.12410867E-01
 -0.74469843E-03-0.68410939E-03 0.58425932E-04-0.16901781E-03-0.17610778E-04
     ROW  6
 -0.71874859E-07-0.45594217E-04 0.45233059E-04 0.22555375E-05-0.74469843E-03
  0.82104780E-02-0.48533816E-04-0.51867092E-06 0.39231834E-04 0.40077896E-05
     ROW  7
 -0.81066677E-05-0.34485460E-04-0.39106284E-03 0.18805614E-03-0.68410939E-03
 -0.48533816E-04 0.84741468E-02 0.75371190E-03 0.45321718E-04 0.27966576E-04
     ROW  8
 -0.63276534E-06-0.14571211E-06-0.29287813E-04 0.20182651E-03 0.58425932E-04
 -0.51867091E-06 0.75371190E-03 0.59624520E-02-0.17805678E-03-0.46567581E-03
     ROW  9
 -0.14190440E-07-0.40726283E-06-0.19223274E-06-0.31280346E-05-0.16901781E-03
  0.39231834E-04 0.45321718E-04-0.17805678E-03 0.44528742E-02 0.76371621E-05
     ROW 10
  0.14931797E-07-0.55557401E-07 0.26601785E-06-0.16949794E-04-0.17610778E-04
  0.40077896E-05 0.27966576E-04-0.46567581E-03 0.76371621E-05 0.43267451E-02
 eigenphases
  0.4183419E-02  0.4435937E-02  0.5896059E-02  0.8037013E-02  0.8618050E-02
  0.1257148E-01  0.1805126E-01  0.3334730E-01  0.6214916E-01  0.4320144E+00
 eigenphase sum 0.589304E+00  scattering length=  -0.77982
 eps+pi 0.373090E+01  eps+2*pi 0.687249E+01

Iter =   1 c.s. =      0.86646229 angs^2  rmsk=     0.04671806
Time Now =        42.2378  Delta time =         0.8093 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.20000000E+02 eV (  0.73498652E+00 AU)
Time Now =        42.3062  Delta time =         0.0684 End Fege

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

Unit for output of final k matrices (iukmat) =   60
Symmetry type of scattering solution (symtps) =E
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    20
Number of asymptotic solutions on the right (NAsymR) =    10
Number of asymptotic solutions on the left (NAsymL) =    10
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   14
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   17
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        42.4181  Delta time =         0.1119 Energy independent setup

Compute solution for E =   20.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.25791547E+00
 i =  2  lval =   3  stpote = -0.18013639E-14
 i =  3  lval =   3  stpote =  0.35498688E-14
 i =  4  lval =   4  stpote = -0.67039645E+01
Number of asymptotic regions =      27
Final point in integration =   0.64462314E+02
Iter =   1 c.s. =      0.86805512 angs^2  rmsk=     0.07327432
     REAL PART -  Final k matrix
     ROW  1
  0.71493150E+00 0.25223696E-01 0.14173557E-01-0.14890986E-02 0.16202167E-03
 -0.28774411E-05-0.62841325E-04-0.60926073E-05-0.22537319E-06 0.18587398E-06
     ROW  2
  0.25223696E-01 0.12532850E+00 0.10569332E-01 0.77174107E-03 0.20709434E-02
 -0.17749863E-03-0.17262440E-03-0.31002107E-05-0.37258637E-05-0.48124448E-06
     ROW  3
  0.14173557E-01 0.10569332E-01 0.71324441E-01-0.76432085E-02 0.85317460E-03
  0.11167182E-03-0.11067317E-02-0.11906384E-03-0.17884087E-05 0.24177544E-05
     ROW  4
 -0.14890987E-02 0.77174107E-03-0.76432085E-02 0.37863632E-01 0.13901262E-02
 -0.84661562E-05 0.60299684E-03 0.48726851E-03-0.12064476E-04-0.52310993E-04
     ROW  5
  0.16202167E-03 0.20709434E-02 0.85317460E-03 0.13901262E-02 0.25341868E-01
 -0.15924229E-02-0.14697948E-02 0.16406876E-03-0.36933947E-03-0.40256518E-04
     ROW  6
 -0.28774412E-05-0.17749863E-03 0.11167182E-03-0.84661561E-05-0.15924229E-02
  0.16377327E-01-0.13035934E-03-0.41140667E-05 0.11689178E-03 0.11958329E-04
     ROW  7
 -0.62841326E-04-0.17262440E-03-0.11067317E-02 0.60299684E-03-0.14697948E-02
 -0.13035934E-03 0.17166945E-01 0.15572285E-02 0.13143102E-03 0.72804846E-04
     ROW  8
 -0.60926073E-05-0.31002107E-05-0.11906384E-03 0.48726851E-03 0.16406876E-03
 -0.41140667E-05 0.15572285E-02 0.11970912E-01-0.35968583E-03-0.94043563E-03
     ROW  9
 -0.22537321E-06-0.37258639E-05-0.17884087E-05-0.12064476E-04-0.36933947E-03
  0.11689178E-03 0.13143102E-03-0.35968583E-03 0.89631999E-02 0.24661839E-04
     ROW 10
  0.18587399E-06-0.48124450E-06 0.24177544E-05-0.52310993E-04-0.40256518E-04
  0.11958329E-04 0.72804846E-04-0.94043563E-03 0.24661839E-04 0.86057581E-02
 eigenphases
  0.8323095E-02  0.8918923E-02  0.1182367E-01  0.1600484E-01  0.1743293E-01
  0.2562687E-01  0.3628918E-01  0.7086410E-01  0.1254401E+00  0.6216109E+00
 eigenphase sum 0.942335E+00  scattering length=  -1.13489
 eps+pi 0.408393E+01  eps+2*pi 0.722552E+01

Iter =   1 c.s. =      0.86805512 angs^2  rmsk=     0.07327432
Time Now =        44.0794  Delta time =         1.6613 End ScatStab
+ Data Record ScatContSym - 'T1'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.10000000E+00 eV (  0.36749326E-02 AU)
Time Now =        44.1482  Delta time =         0.0688 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) =T1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    24
Number of asymptotic solutions on the right (NAsymR) =    12
Number of asymptotic solutions on the left (NAsymL) =    12
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   18
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   17
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        44.2245  Delta time =         0.0763 Energy independent setup

Compute solution for E =    0.1000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.64964862E+00
 i =  2  lval =   3  stpote = -0.16551760E-14
 i =  3  lval =   3  stpote =  0.25975382E-14
 i =  4  lval =   4  stpote = -0.67064348E+01
Number of asymptotic regions =      10
Final point in integration =   0.25477164E+03
Iter =   1 c.s. =      0.00104622 angs^2  rmsk=     0.00012319
     REAL PART -  Final k matrix
     ROW  1
  0.12841247E-02 0.83139286E-04 0.95395824E-06-0.10463471E-04 0.80226372E-07
  0.64068816E-07-0.74966940E-12 0.79016779E-12 0.15324344E-11-0.95412515E-11
 -0.49945642E-13-0.51367852E-13
     ROW  2
  0.83139286E-04 0.57984967E-03-0.21192803E-04-0.59812535E-06-0.46020978E-06
  0.55033582E-05 0.16313996E-07-0.49647705E-07-0.38643882E-13-0.33032847E-12
  0.47053686E-12-0.33521555E-11
     ROW  3
  0.95395824E-06-0.21192803E-04 0.31159340E-03-0.97452373E-05-0.44307323E-07
 -0.17688323E-06-0.34394076E-05 0.13549694E-11-0.25938711E-07-0.10809260E-07
  0.19262603E-13 0.77451540E-13
     ROW  4
 -0.10463471E-04-0.59812535E-06-0.97452373E-05 0.18650545E-03-0.10562081E-04
 -0.12630414E-04 0.91737079E-07-0.67419254E-07-0.43081286E-06 0.26904288E-05
  0.98445560E-08 0.10046967E-07
     ROW  5
  0.80226372E-07-0.46020978E-06-0.44307323E-07-0.10562081E-04 0.11968523E-03
 -0.70994404E-07 0.96531367E-06 0.60545860E-12 0.58133802E-08-0.60454459E-07
 -0.15623860E-05-0.19809895E-12
     ROW  6
  0.64068816E-07 0.55033582E-05-0.17688323E-06-0.12630414E-04-0.70994404E-07
  0.11999683E-03 0.48272733E-05-0.89538482E-05-0.62906840E-08-0.91983319E-07
  0.13065302E-06-0.18661025E-05
     ROW  7
 -0.74967034E-12 0.16313996E-07-0.34394076E-05 0.91737079E-07 0.96531367E-06
  0.48272733E-05 0.81281454E-04 0.17953994E-07 0.51902236E-05 0.36014374E-05
 -0.10204693E-07-0.36457045E-07
     ROW  8
  0.79016358E-12-0.49647705E-07 0.13549695E-11-0.67419254E-07 0.60545857E-12
 -0.89538482E-05 0.17953994E-07 0.81057141E-04 0.10934110E-12-0.16883795E-05
  0.11918917E-08 0.51287042E-07
     ROW  9
  0.15324456E-11-0.38643215E-13-0.25938711E-07-0.43081286E-06 0.58133802E-08
 -0.62906840E-08 0.51902236E-05 0.10934108E-12 0.57191147E-04-0.36817856E-07
 -0.37376761E-06-0.16409940E-12
     ROW 10
 -0.95413220E-11-0.33032922E-12-0.10809260E-07 0.26904288E-05-0.60454459E-07
 -0.91983319E-07 0.36014374E-05-0.16883795E-05-0.36817856E-07 0.57361348E-04
  0.32062879E-05 0.40299558E-05
     ROW 11
 -0.49946733E-13 0.47053957E-12 0.19262555E-13 0.98445560E-08-0.15623860E-05
  0.13065302E-06-0.10204693E-07 0.11918917E-08-0.37376761E-06 0.32062879E-05
  0.42003454E-04-0.15879548E-07
     ROW 12
 -0.51368970E-13-0.33521749E-11 0.77451612E-13 0.10046967E-07-0.19809895E-12
 -0.18661025E-05-0.36457045E-07 0.51287042E-07-0.16409939E-12 0.40299558E-05
 -0.15879548E-07 0.42031648E-04
 eigenphases
  0.4036920E-04  0.4198423E-04  0.5583700E-04  0.5852541E-04  0.7896155E-04
  0.8241904E-04  0.1171125E-03  0.1213236E-03  0.1895956E-03  0.3106864E-03
  0.5719592E-03  0.1293907E-02
 eigenphase sum 0.296268E-02  scattering length=  -0.03456
 eps+pi 0.314456E+01  eps+2*pi 0.628615E+01

Iter =   1 c.s. =      0.00104622 angs^2  rmsk=     0.00012319
Time Now =        45.5566  Delta time =         1.3321 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+00 eV (  0.18374663E-01 AU)
Time Now =        45.6251  Delta time =         0.0685 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) =T1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    24
Number of asymptotic solutions on the right (NAsymR) =    12
Number of asymptotic solutions on the left (NAsymL) =    12
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   18
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   17
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        45.7702  Delta time =         0.1451 Energy independent setup

Compute solution for E =    0.5000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.63040273E+00
 i =  2  lval =   3  stpote = -0.13229426E-14
 i =  3  lval =   3  stpote =  0.23357525E-14
 i =  4  lval =   4  stpote = -0.67063135E+01
Number of asymptotic regions =      13
Final point in integration =   0.17174362E+03
Iter =   1 c.s. =      0.00530478 angs^2  rmsk=     0.00062027
     REAL PART -  Final k matrix
     ROW  1
  0.64720361E-02 0.41801265E-03 0.10566221E-04-0.51528368E-04 0.89712255E-06
  0.72951067E-06-0.10798468E-09-0.11312462E-09 0.94146781E-10-0.59409145E-09
 -0.77887977E-11-0.81452988E-11
     ROW  2
  0.41801265E-03 0.29033411E-02-0.10617284E-03-0.66836037E-05-0.22470689E-05
  0.26882741E-04 0.18705169E-06-0.56249316E-06 0.32544006E-10-0.69197552E-10
  0.28744147E-10-0.20765067E-09
     ROW  3
  0.10566221E-04-0.10617284E-03 0.15628250E-02-0.48859437E-04-0.48940096E-06
 -0.19699303E-05-0.16506609E-04 0.23216025E-09-0.29258258E-06-0.12283658E-06
 -0.20848392E-11 0.12482121E-10
     ROW  4
 -0.51528368E-04-0.66836037E-05-0.48859437E-04 0.94358301E-03-0.53017360E-04
 -0.63399909E-04 0.10171737E-05-0.74436642E-06-0.19923100E-05 0.12442484E-04
  0.11225251E-06 0.11485329E-06
     ROW  5
  0.89712257E-06-0.22470689E-05-0.48940097E-06-0.53017360E-04 0.60405104E-03
 -0.79242307E-06 0.48468198E-05 0.94381983E-10 0.64781302E-07-0.67088512E-06
 -0.71230196E-05-0.23487196E-10
     ROW  6
  0.72951069E-06 0.26882741E-04-0.19699303E-05-0.63399909E-04-0.79242307E-06
  0.60755635E-03 0.24238080E-04-0.44957825E-04-0.68572146E-07-0.10194116E-05
  0.59562540E-06-0.85077592E-05
     ROW  7
 -0.10798475E-09 0.18705169E-06-0.16506609E-04 0.10171737E-05 0.48468198E-05
  0.24238080E-04 0.41492534E-03 0.20053735E-06 0.26277931E-04 0.18233971E-04
 -0.11238561E-06-0.40247869E-06
     ROW  8
 -0.11312495E-09-0.56249316E-06 0.23216027E-09-0.74436642E-06 0.94381981E-10
 -0.44957825E-04 0.20053735E-06 0.41239813E-03 0.16452202E-10-0.85481534E-05
  0.12915705E-07 0.56686613E-06
     ROW  9
  0.94147093E-10 0.32544049E-10-0.29258258E-06-0.19923100E-05 0.64781302E-07
 -0.68572146E-07 0.26277931E-04 0.16452201E-10 0.29366038E-03-0.41615059E-06
 -0.18914235E-05-0.24174398E-10
     ROW 10
 -0.59409344E-09-0.69197603E-10-0.12283658E-06 0.12442484E-04-0.67088512E-06
 -0.10194116E-05 0.18233971E-04-0.85481534E-05-0.41615059E-06 0.29558773E-03
  0.16225112E-04 0.20393203E-04
     ROW 11
 -0.77888656E-11 0.28744215E-10-0.20848419E-11 0.11225251E-06-0.71230196E-05
  0.59562540E-06-0.11238561E-06 0.12915705E-07-0.18914235E-05 0.16225112E-04
  0.21717534E-03-0.17972749E-06
     ROW 12
 -0.81453696E-11-0.20765116E-09 0.12482125E-10 0.11485329E-06-0.23487196E-10
 -0.85077592E-05-0.40247869E-06 0.56686613E-06-0.24174397E-10 0.20393203E-04
 -0.17972749E-06 0.21749586E-03
 eigenphases
  0.2089986E-03  0.2172832E-03  0.2867407E-03  0.3014548E-03  0.4019186E-03
  0.4207004E-03  0.5914198E-03  0.6141379E-03  0.9588228E-03  0.1558220E-02
  0.2864096E-02  0.6520741E-02
 eigenphase sum 0.149445E-01  scattering length=  -0.07796
 eps+pi 0.315654E+01  eps+2*pi 0.629813E+01

Iter =   1 c.s. =      0.00530478 angs^2  rmsk=     0.00062027
Time Now =        46.8910  Delta time =         1.1208 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.20000000E+01 eV (  0.73498652E-01 AU)
Time Now =        46.9605  Delta time =         0.0695 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) =T1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    24
Number of asymptotic solutions on the right (NAsymR) =    12
Number of asymptotic solutions on the left (NAsymL) =    12
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   18
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   17
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        47.1035  Delta time =         0.1430 Energy independent setup

Compute solution for E =    2.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.56737118E+00
 i =  2  lval =   3  stpote = -0.13566693E-14
 i =  3  lval =   3  stpote =  0.19718451E-14
 i =  4  lval =   4  stpote = -0.67059160E+01
Number of asymptotic regions =      17
Final point in integration =   0.11981198E+03
Iter =   1 c.s. =      0.02225493 angs^2  rmsk=     0.00254160
     REAL PART -  Final k matrix
     ROW  1
  0.26693485E-01 0.17404193E-02 0.82753057E-04-0.20565098E-03 0.69995759E-05
  0.61412186E-05-0.63286926E-08-0.12486444E-07 0.28692985E-08-0.19237556E-07
 -0.49059832E-09-0.55811650E-09
     ROW  2
  0.17404193E-02 0.11636539E-01-0.42755575E-03-0.54013359E-04-0.88473334E-05
  0.10668689E-03 0.15466208E-05-0.44306878E-05 0.29245005E-08-0.50875353E-08
  0.87480314E-09-0.67854876E-08
     ROW  3
  0.82753057E-04-0.42755575E-03 0.62520454E-02-0.19598400E-03-0.37753452E-05
 -0.15717392E-04-0.65380996E-04 0.16302259E-07-0.23173688E-05-0.10027209E-05
 -0.24748861E-09 0.84340203E-09
     ROW  4
 -0.20565098E-03-0.54013359E-04-0.19598400E-03 0.38030195E-02-0.21248944E-03
 -0.25412868E-03 0.80848385E-05-0.58166817E-05-0.78504565E-05 0.49060801E-04
  0.91140014E-06 0.94194976E-06
     ROW  5
  0.69995763E-05-0.88473334E-05-0.37753452E-05-0.21248944E-03 0.24163459E-02
 -0.62086027E-05 0.19414809E-04 0.64618867E-08 0.52853567E-06-0.53872237E-05
 -0.27835825E-04-0.14994272E-08
     ROW  6
  0.61412191E-05 0.10668689E-03-0.15717392E-04-0.25412868E-03-0.62086027E-05
  0.24446728E-02 0.97119957E-04-0.18013669E-03-0.51220546E-06-0.81440461E-05
  0.23257453E-05-0.33252626E-04
     ROW  7
 -0.63286951E-08 0.15466209E-05-0.65380996E-04 0.80848385E-05 0.19414809E-04
  0.97119957E-04 0.16708969E-02 0.15526656E-05 0.10529779E-03 0.73065771E-04
 -0.88699700E-06-0.32066340E-05
     ROW  8
 -0.12486457E-07-0.44306880E-05 0.16302260E-07-0.58166817E-05 0.64618866E-08
 -0.18013669E-03 0.15526656E-05 0.16506424E-02 0.11018225E-08-0.34249327E-04
  0.95408791E-07 0.45368062E-05
     ROW  9
  0.28693044E-08 0.29245022E-08-0.23173689E-05-0.78504565E-05 0.52853567E-06
 -0.51220546E-06 0.10529779E-03 0.11018225E-08 0.11787446E-02-0.33185772E-05
 -0.75904789E-05-0.16656876E-08
     ROW 10
 -0.19237596E-07-0.50875376E-08-0.10027210E-05 0.49060801E-04-0.53872237E-05
 -0.81440461E-05 0.73065771E-04-0.34249327E-04-0.33185772E-05 0.11942261E-02
  0.65108257E-04 0.81833942E-04
     ROW 11
 -0.49060089E-09 0.87480429E-09-0.24748872E-09 0.91140014E-06-0.27835825E-04
  0.23257453E-05-0.88699700E-06 0.95408791E-07-0.75904789E-05 0.65108257E-04
  0.87720846E-03-0.14252119E-05
     ROW 12
 -0.55811933E-09-0.67854967E-08 0.84340220E-09 0.94194976E-06-0.14994272E-08
 -0.33252626E-04-0.32066340E-05 0.45368062E-05-0.16656876E-08 0.81833942E-04
 -0.14252119E-05 0.87979443E-03
 eigenphases
  0.8446177E-03  0.8789021E-03  0.1151171E-02  0.1217643E-02  0.1609526E-02
  0.1693487E-02  0.2367236E-02  0.2470088E-02  0.3862525E-02  0.6232882E-02
  0.1147489E-01  0.2688756E-01
 eigenphase sum 0.606905E-01  scattering length=  -0.15849
 eps+pi 0.320228E+01  eps+2*pi 0.634388E+01

Iter =   1 c.s. =      0.02225493 angs^2  rmsk=     0.00254160
Time Now =        48.6356  Delta time =         1.5321 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.10000000E+02 eV (  0.36749326E+00 AU)
Time Now =        48.7041  Delta time =         0.0685 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) =T1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    24
Number of asymptotic solutions on the right (NAsymR) =    12
Number of asymptotic solutions on the left (NAsymL) =    12
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   18
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   17
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        48.8447  Delta time =         0.1406 Energy independent setup

Compute solution for E =   10.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.37004250E+00
 i =  2  lval =   3  stpote = -0.14547721E-14
 i =  3  lval =   3  stpote =  0.31024409E-14
 i =  4  lval =   4  stpote = -0.67046716E+01
Number of asymptotic regions =      24
Final point in integration =   0.78841920E+02
Iter =   1 c.s. =      0.14273467 angs^2  rmsk=     0.01453793
     REAL PART -  Final k matrix
     ROW  1
  0.15567846E+00 0.14993067E-01 0.10302739E-02-0.17044624E-02 0.10422985E-03
  0.13159947E-03-0.45244370E-06-0.25956637E-05 0.17920468E-06-0.15318318E-05
 -0.73102732E-07-0.12541541E-06
     ROW  2
  0.14993067E-01 0.61514240E-01-0.25859538E-02-0.74456187E-03-0.42325213E-04
  0.64452635E-03 0.23016409E-04-0.52508878E-04 0.44890990E-06-0.80964532E-06
  0.19034574E-07-0.41152924E-06
     ROW  3
  0.10302739E-02-0.25859538E-02 0.31722592E-01-0.10565282E-02-0.35169592E-04
 -0.18209024E-03-0.34253086E-03 0.20837435E-05-0.24800000E-04-0.12557962E-04
 -0.48363102E-07 0.10505428E-06
     ROW  4
 -0.17044624E-02-0.74456187E-03-0.10565282E-02 0.19445087E-01-0.10911162E-02
 -0.13093452E-02 0.89149046E-04-0.57786650E-04-0.38993652E-04 0.24777501E-03
  0.10737261E-04 0.11665747E-04
     ROW  5
  0.10422985E-03-0.42325212E-04-0.35169592E-04-0.10911162E-02 0.12018686E-01
 -0.61414067E-04 0.97143922E-04 0.76076268E-06 0.66265809E-05-0.62361818E-04
 -0.13778017E-03-0.20084593E-06
     ROW  6
  0.13159947E-03 0.64452634E-03-0.18209024E-03-0.13093452E-02-0.61414067E-04
  0.12354225E-01 0.48998366E-03-0.90798858E-03-0.35805905E-05-0.91843537E-04
  0.11268201E-04-0.16534690E-03
     ROW  7
 -0.45244371E-06 0.23016409E-04-0.34253085E-03 0.89149046E-04 0.97143922E-04
  0.48998366E-03 0.84255846E-02 0.14093432E-04 0.52822947E-03 0.36664667E-03
 -0.93438203E-05-0.35641432E-04
     ROW  8
 -0.25956637E-05-0.52508877E-04 0.20837434E-05-0.57786650E-04 0.76076267E-06
 -0.90798858E-03 0.14093432E-04 0.81979306E-02 0.12145020E-06-0.17129761E-03
  0.60149734E-06 0.51637816E-04
     ROW  9
  0.17920470E-06 0.44890990E-06-0.24800000E-04-0.38993652E-04 0.66265808E-05
 -0.35805906E-05 0.52822947E-03 0.12145019E-06 0.58624384E-02-0.36070289E-04
 -0.38135924E-04-0.21719520E-06
     ROW 10
 -0.15318319E-05-0.80964532E-06-0.12557962E-04 0.24777501E-03-0.62361818E-04
 -0.91843537E-04 0.36664667E-03-0.17129761E-03-0.36070289E-04 0.60376102E-02
  0.32651092E-03 0.41037659E-03
     ROW 11
 -0.73102747E-07 0.19034583E-07-0.48363103E-07 0.10737261E-04-0.13778017E-03
  0.11268201E-04-0.93438203E-05 0.60149735E-06-0.38135924E-04 0.32651092E-03
  0.44104548E-02-0.14928739E-04
     ROW 12
 -0.12541543E-06-0.41152932E-06 0.10505428E-06 0.11665747E-04-0.20084592E-06
 -0.16534690E-03-0.35641432E-04 0.51637815E-04-0.21719520E-06 0.41037659E-03
 -0.14928739E-04 0.44402890E-02
 eigenphases
  0.4250370E-02  0.4433973E-02  0.5726661E-02  0.6151607E-02  0.8001122E-02
  0.8530377E-02  0.1178319E-01  0.1246369E-01  0.1970750E-01  0.3154666E-01
  0.5939263E-01  0.1567388E+00
 eigenphase sum 0.328727E+00  scattering length=  -0.39787
 eps+pi 0.347032E+01  eps+2*pi 0.661191E+01

Iter =   1 c.s. =      0.14273467 angs^2  rmsk=     0.01453793
Time Now =        50.7186  Delta time =         1.8739 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.20000000E+02 eV (  0.73498652E+00 AU)
Time Now =        50.7871  Delta time =         0.0684 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) =T1
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    24
Number of asymptotic solutions on the right (NAsymR) =    12
Number of asymptotic solutions on the left (NAsymL) =    12
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   18
Number of orthogonality constraints (NOrthUse) =    0
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   17
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        50.9286  Delta time =         0.1415 Energy independent setup

Compute solution for E =   20.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.25791547E+00
 i =  2  lval =   3  stpote = -0.18013639E-14
 i =  3  lval =   3  stpote =  0.35498688E-14
 i =  4  lval =   4  stpote = -0.67039645E+01
Number of asymptotic regions =      27
Final point in integration =   0.64462314E+02
Iter =   1 c.s. =      0.26121668 angs^2  rmsk=     0.02859776
     REAL PART -  Final k matrix
     ROW  1
  0.29986333E+00 0.43374995E-01 0.28644974E-02-0.60461241E-02 0.44282984E-03
  0.74263791E-03-0.16780230E-05-0.28566127E-04 0.20964927E-05-0.17995484E-04
 -0.11076439E-05-0.20488698E-05
     ROW  2
  0.43374995E-01 0.12529257E+00-0.68281147E-02-0.29932007E-02-0.60923102E-04
  0.20771621E-02 0.10931496E-03-0.20937601E-03 0.46655084E-05-0.95800101E-05
 -0.15761445E-06-0.40641652E-05
     ROW  3
  0.28644974E-02-0.68281147E-02 0.65172294E-01-0.26259670E-02-0.79718977E-04
 -0.60024276E-03-0.92749500E-03 0.17788986E-04-0.85048232E-04-0.49550338E-04
 -0.57470601E-06 0.93755053E-06
     ROW  4
 -0.60461241E-02-0.29932007E-02-0.26259670E-02 0.40611243E-01-0.24976704E-02
 -0.30354387E-02 0.26771515E-03-0.14734994E-03-0.90984744E-04 0.60204643E-03
  0.37009881E-04 0.42066219E-04
     ROW  5
  0.44282984E-03-0.60923102E-04-0.79718977E-04-0.24976704E-02 0.24126010E-01
 -0.15070665E-03 0.20270496E-03 0.53811703E-05 0.21990912E-04-0.19107321E-03
 -0.29812689E-03-0.18138659E-05
     ROW  6
  0.74263792E-03 0.20771621E-02-0.60024275E-03-0.30354387E-02-0.15070665E-03
  0.25202403E-01 0.10496676E-02-0.19389030E-02-0.26681154E-05-0.27383000E-03
  0.22797245E-04-0.36286703E-03
     ROW  7
 -0.16780230E-05 0.10931496E-03-0.92749500E-03 0.26771515E-03 0.20270496E-03
  0.10496676E-02 0.17012700E-01 0.28915408E-04 0.10875360E-02 0.75567549E-03
 -0.24843875E-04-0.10192695E-03
     ROW  8
 -0.28566127E-04-0.20937601E-03 0.17788986E-04-0.14734994E-03 0.53811703E-05
 -0.19389030E-02 0.28915408E-04 0.16347706E-01 0.73847773E-06-0.34929452E-03
  0.84686380E-07 0.15176612E-03
     ROW  9
  0.20964928E-05 0.46655084E-05-0.85048232E-04-0.90984743E-04 0.21990911E-04
 -0.26681154E-05 0.10875360E-02 0.73847773E-06 0.11670373E-01-0.99371622E-04
 -0.77696878E-04-0.17716236E-05
     ROW 10
 -0.17995485E-04-0.95800102E-05-0.49550338E-04 0.60204643E-03-0.19107321E-03
 -0.27383000E-03 0.75567549E-03-0.34929452E-03-0.99371622E-04 0.12178597E-01
  0.66180801E-03 0.83171237E-03
     ROW 11
 -0.11076439E-05-0.15761444E-06-0.57470602E-06 0.37009881E-04-0.29812689E-03
  0.22797245E-04-0.24843875E-04 0.84686402E-07-0.77696878E-04 0.66180801E-03
  0.88431977E-02-0.38748210E-04
     ROW 12
 -0.20488698E-05-0.40641653E-05 0.93755054E-06 0.42066218E-04-0.18138659E-05
 -0.36286703E-03-0.10192695E-03 0.15176612E-03-0.17716236E-05 0.83171237E-03
 -0.38748210E-04 0.89312781E-02
 eigenphases
  0.8523477E-02  0.8910586E-02  0.1139091E-01  0.1239676E-01  0.1592753E-01
  0.1720539E-01  0.2358235E-01  0.2535217E-01  0.4102631E-01  0.6437339E-01
  0.1156973E+00  0.3008063E+00
 eigenphase sum 0.645193E+00  scattering length=  -0.62078
 eps+pi 0.378679E+01  eps+2*pi 0.692838E+01

Iter =   1 c.s. =      0.26121668 angs^2  rmsk=     0.02859776
Time Now =        53.2291  Delta time =         2.3005 End ScatStab
+ Data Record ScatContSym - 'T2'

+ Command Scat
+

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.10000000E+00 eV (  0.36749326E-02 AU)
Time Now =        53.2980  Delta time =         0.0688 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) =T2
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    38
Number of asymptotic solutions on the right (NAsymR) =    18
Number of asymptotic solutions on the left (NAsymL) =    18
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   24
Number of orthogonality constraints (NOrthUse) =    1
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   20
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        53.4379  Delta time =         0.1400 Energy independent setup

Compute solution for E =    0.1000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.64964862E+00
 i =  2  lval =   3  stpote = -0.16551760E-14
 i =  3  lval =   3  stpote =  0.25975382E-14
 i =  4  lval =   4  stpote = -0.67064348E+01
Number of asymptotic regions =      10
Final point in integration =   0.25477164E+03
Iter =   1 c.s. =      0.15883708 angs^2  rmsk=     0.00101205
     REAL PART -  Final k matrix
     ROW  1
  0.17677531E-01 0.89704081E-03 0.25449533E-04-0.58185850E-04-0.76574624E-06
  0.39050600E-06-0.95329987E-11 0.40153313E-10-0.60004800E-10-0.13100743E-09
  0.12302124E-11-0.80341972E-12 0.34367533E-14-0.20598721E-14-0.15736669E-14
  0.18298615E-15 0.30512290E-15 0.95892081E-18
     ROW  2
  0.89704081E-03 0.39122582E-02 0.25909762E-03-0.27842614E-05 0.58892667E-05
  0.20903660E-04-0.12856289E-06-0.21937497E-06 0.47243389E-11-0.41056852E-11
 -0.10732568E-10-0.29173288E-10-0.81383079E-13-0.12670973E-12-0.22654810E-12
  0.27671567E-15-0.19855397E-15 0.52005309E-15
     ROW  3
  0.25449533E-04 0.25909762E-03 0.12766604E-02-0.24340308E-04 0.10823859E-05
  0.12823089E-05-0.98650505E-05 0.13014667E-11-0.10443837E-06 0.32358282E-07
 -0.81587092E-12-0.63959018E-12-0.45090918E-11-0.76023412E-11 0.46070816E-14
  0.66555996E-13-0.25968987E-13 0.30304708E-18
     ROW  4
 -0.58185850E-04-0.27842614E-05-0.24340308E-04 0.58355041E-03 0.46902586E-04
 -0.27747948E-04 0.20630742E-06-0.30561584E-06 0.26303437E-05 0.57111053E-05
 -0.38206807E-07 0.24013545E-07 0.26121648E-12-0.16903702E-13-0.21486049E-12
 -0.20668113E-11-0.35137385E-11-0.89499173E-15
     ROW  5
 -0.76574626E-06 0.58892667E-05 0.10823859E-05 0.46902586E-04 0.31136835E-03
  0.57269130E-06-0.12154450E-04-0.98506108E-11 0.21825002E-06 0.23716951E-06
 -0.33603319E-05 0.66094601E-12-0.28391014E-07 0.68203849E-08-0.10008245E-14
 -0.10678835E-12-0.84548383E-13 0.16460264E-18
     ROW  6
  0.39050601E-06 0.20903660E-04 0.12823089E-05-0.27747948E-04 0.57269130E-06
  0.31272469E-03-0.15408591E-04-0.22854620E-04 0.55155207E-07-0.24033701E-06
 -0.47333234E-06-0.38666807E-05 0.56366206E-09-0.13481517E-07-0.21009427E-07
 -0.21988317E-13 0.10915969E-12-0.40329822E-13
     ROW  7
 -0.95331540E-11-0.12856290E-06-0.98650505E-05 0.20630742E-06-0.12154450E-04
 -0.15408591E-04 0.18636050E-03-0.87030359E-07 0.15621528E-04-0.33918085E-05
  0.11152746E-06 0.10126724E-06 0.13499102E-05 0.22738273E-05 0.54275201E-12
 -0.13887938E-07 0.54460668E-08 0.39378149E-15
     ROW  8
  0.40153214E-10-0.21937497E-06 0.13014587E-11-0.30561584E-06-0.98506109E-11
 -0.22854620E-04-0.87030359E-07 0.18574069E-03-0.15197146E-11-0.50308642E-05
 -0.60954761E-08 0.15020358E-06-0.86375250E-13-0.10220038E-06 0.22297612E-05
 -0.47206521E-10 0.34292309E-08-0.17029996E-07
     ROW  9
 -0.60005197E-10 0.47243106E-11-0.10443837E-06 0.26303437E-05 0.21825002E-06
  0.55155207E-07 0.15621528E-04-0.15197142E-11 0.11971507E-03 0.18069519E-06
 -0.59648154E-05 0.10608391E-11 0.71744879E-07 0.72549335E-07-0.24396399E-14
 -0.16047351E-05 0.32218169E-14 0.82297806E-19
     ROW 10
 -0.13100829E-09-0.41056886E-11 0.32358282E-07 0.57111053E-05 0.23716951E-06
 -0.24033701E-06-0.33918085E-05-0.50308642E-05 0.18069519E-06 0.12006214E-03
 -0.73389297E-05 0.67325839E-05 0.25928336E-07-0.33388083E-07-0.52031575E-07
 -0.36954338E-06-0.18843087E-05 0.23099926E-12
     ROW 11
  0.12302333E-11-0.10732654E-10-0.81587298E-12-0.38206807E-07-0.33603319E-05
 -0.47333234E-06 0.11152746E-06-0.60954761E-08-0.59648154E-05-0.73389297E-05
  0.81249038E-04 0.51634230E-07 0.69202979E-05 0.31469142E-12 0.33409665E-12
  0.51972546E-07 0.37874219E-07 0.32691710E-15
     ROW 12
 -0.80343325E-12-0.29173522E-10-0.63959432E-12 0.24013545E-07 0.66094648E-12
 -0.38666807E-05 0.10126724E-06 0.15020358E-06 0.10608392E-11 0.67325839E-05
  0.51634230E-07 0.81325755E-04 0.42923893E-12 0.39954362E-05 0.62264377E-05
  0.55015845E-08-0.50671470E-07 0.21488926E-07
     ROW 13
  0.34368994E-14-0.81384868E-13-0.45091251E-11 0.26121539E-12-0.28391014E-07
  0.56366206E-09 0.13499102E-05-0.86375230E-13 0.71744879E-07 0.25928336E-07
  0.69202979E-05 0.42923887E-12 0.57218299E-04 0.71535282E-07-0.65570866E-15
 -0.32617261E-05 0.14469282E-12 0.19836922E-19
     ROW 14
 -0.20599485E-14-0.12671252E-12-0.76023973E-11-0.16902756E-13 0.68203849E-08
 -0.13481517E-07 0.22738273E-05-0.10220038E-06 0.72549335E-07-0.33388083E-07
  0.31469134E-12 0.39954362E-05 0.71535282E-07 0.57313318E-04-0.18360450E-07
 -0.37959561E-05 0.19590741E-05 0.87958150E-13
     ROW 15
 -0.15737314E-14-0.22655310E-12 0.46070360E-14-0.21486036E-12-0.10008280E-14
 -0.21009427E-07 0.54275203E-12 0.22297612E-05-0.24396390E-14-0.52031575E-07
  0.33409663E-12 0.62264377E-05-0.65570903E-15-0.18360450E-07 0.57296487E-04
  0.83824175E-13 0.18928578E-05-0.42501396E-05
     ROW 16
  0.18300400E-15 0.27673288E-15 0.66557448E-13-0.20668232E-11-0.10678842E-12
 -0.21988165E-13-0.13887938E-07-0.47206521E-10-0.16047351E-05-0.36954338E-06
  0.51972546E-07 0.55015845E-08-0.32617261E-05-0.37959561E-05 0.83824167E-13
  0.42001985E-04 0.26469536E-07 0.69701950E-16
     ROW 17
  0.30511408E-15-0.19856758E-15-0.25969554E-13-0.35137587E-11-0.84548620E-13
  0.10915977E-12 0.54460668E-08 0.34292309E-08 0.32218638E-14-0.18843087E-05
  0.37874219E-07-0.50671470E-07 0.14469281E-12 0.19590741E-05 0.18928578E-05
  0.26469536E-07 0.42039428E-04 0.51553331E-08
     ROW 18
  0.95500028E-18 0.52008689E-15 0.30310887E-18-0.89498372E-15 0.16448448E-18
 -0.40329548E-13 0.39378179E-15-0.17029996E-07 0.82258076E-19 0.23099924E-12
  0.32691694E-15 0.21488926E-07 0.19776319E-19 0.87958144E-13-0.42501396E-05
  0.69701895E-16 0.51553331E-08 0.41921939E-04
 eigenphases
  0.4016140E-04  0.4065420E-04  0.4190854E-04  0.5550641E-04  0.5678881E-04
  0.5841512E-04  0.8028969E-04  0.8300440E-04  0.1163317E-03  0.1226142E-03
  0.1812077E-03  0.1881047E-03  0.3017412E-03  0.3187585E-03  0.5931044E-03
  0.1252160E-02  0.3879518E-02  0.1773419E-01
 eigenphase sum 0.251445E-01  scattering length=  -0.29336
 eps+pi 0.316674E+01  eps+2*pi 0.630833E+01

Iter =   1 c.s. =      0.15883708 angs^2  rmsk=     0.00101205
Time Now =        57.3297  Delta time =         3.8917 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.50000000E+00 eV (  0.18374663E-01 AU)
Time Now =        57.4007  Delta time =         0.0710 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) =T2
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    38
Number of asymptotic solutions on the right (NAsymR) =    18
Number of asymptotic solutions on the left (NAsymL) =    18
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   24
Number of orthogonality constraints (NOrthUse) =    1
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   20
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        57.4597  Delta time =         0.0590 Energy independent setup

Compute solution for E =    0.5000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.63040273E+00
 i =  2  lval =   3  stpote = -0.13229426E-14
 i =  3  lval =   3  stpote =  0.23357525E-14
 i =  4  lval =   4  stpote = -0.67063135E+01
Number of asymptotic regions =      13
Final point in integration =   0.17174362E+03
Iter =   1 c.s. =      0.16061886 angs^2  rmsk=     0.00227643
     REAL PART -  Final k matrix
     ROW  1
  0.34395217E-01 0.20514325E-02 0.18961590E-03-0.28845956E-03-0.84453275E-05
  0.45488296E-05-0.67986312E-08-0.16239164E-08-0.35605904E-08-0.76420893E-08
  0.17020905E-09-0.11704249E-09 0.12145699E-11-0.80210562E-12-0.60673614E-12
  0.60586965E-13 0.97649110E-13 0.72056903E-15
     ROW  2
  0.20514325E-02 0.20632985E-01 0.13524394E-02-0.33067937E-04 0.29218523E-04
  0.10377227E-03-0.14905784E-05-0.24429444E-05-0.84164875E-09-0.53173633E-09
 -0.66422897E-09-0.18221764E-08-0.12527098E-10-0.19563436E-10-0.33764266E-10
  0.12937764E-12-0.85397514E-13 0.22425873E-12
     ROW  3
  0.18961590E-03 0.13524394E-02 0.63897197E-02-0.12244843E-03 0.12060959E-04
  0.14461457E-04-0.48579869E-04-0.36802589E-08-0.11708825E-05 0.35852027E-06
 -0.16503499E-09-0.24303043E-09-0.28197316E-09-0.47344422E-09-0.11180971E-11
  0.10421567E-10-0.40220045E-11 0.67045765E-15
     ROW  4
 -0.28845956E-03-0.33067937E-04-0.12244843E-03 0.29449274E-02 0.23499484E-03
 -0.13903053E-03 0.23008598E-05-0.33813661E-05 0.12849397E-04 0.27898266E-04
 -0.43728404E-06 0.27534174E-06-0.35942220E-10 0.49413224E-10-0.10882085E-10
 -0.12798992E-09-0.21729805E-09 0.24227319E-12
     ROW  5
 -0.84453280E-05 0.29218523E-04 0.12060959E-04 0.23499484E-03 0.15603634E-02
  0.63907459E-05-0.60939077E-04-0.17479033E-08 0.24284945E-05 0.26528862E-05
 -0.16127371E-04 0.32367110E-10-0.32092686E-06 0.76067032E-07-0.18353437E-11
 -0.14782538E-10-0.26210838E-10 0.41529322E-15
     ROW  6
  0.45488299E-05 0.10377227E-03 0.14461457E-04-0.13903053E-03 0.63907459E-05
  0.15755650E-02-0.77256545E-04-0.11458672E-03 0.60292469E-06-0.26766235E-05
 -0.22716436E-05-0.18557687E-04 0.56813289E-08-0.15320591E-06-0.23875500E-06
  0.10042067E-10 0.15843939E-10 0.17838894E-10
     ROW  7
 -0.67986400E-08-0.14905784E-05-0.48579869E-04 0.23008598E-05-0.60939077E-04
 -0.77256545E-04 0.94196526E-03-0.96396068E-06 0.78413510E-04-0.17025267E-04
  0.12375580E-05 0.11257493E-05 0.62430200E-05 0.10515792E-04 0.76071540E-10
 -0.15845639E-06 0.62035019E-07 0.30142364E-12
     ROW  8
 -0.16239217E-08-0.24429445E-05-0.36802600E-08-0.33813661E-05-0.17479033E-08
 -0.11458672E-03-0.96396068E-06 0.93500261E-03-0.27125962E-09-0.25252511E-04
 -0.65906298E-07 0.16697467E-05-0.17379730E-10-0.47256965E-06 0.10311945E-04
 -0.47083786E-09 0.39251025E-07-0.19328765E-06
     ROW  9
 -0.35606039E-08-0.84165115E-09-0.11708825E-05 0.12849397E-04 0.24284945E-05
  0.60292469E-06 0.78413510E-04-0.27125960E-09 0.60439219E-03 0.20292262E-05
 -0.29949721E-04 0.16327156E-09 0.79431767E-06 0.80531601E-06-0.10724607E-11
 -0.73161474E-05-0.12838800E-10 0.18125750E-15
     ROW 10
 -0.76421178E-08-0.53173666E-09 0.35852027E-06 0.27898266E-04 0.26528862E-05
 -0.26766235E-05-0.17025267E-04-0.25252511E-04 0.20292262E-05 0.60828528E-03
 -0.36849504E-04 0.33804863E-04 0.28526708E-06-0.36926746E-06-0.57546412E-06
 -0.16848015E-05-0.85907443E-05 0.33253230E-10
     ROW 11
  0.17021064E-09-0.66423183E-09-0.16503516E-09-0.43728405E-06-0.16127371E-04
 -0.22716436E-05 0.12375580E-05-0.65906298E-07-0.29949721E-04-0.36849504E-04
  0.41456268E-03 0.58009459E-06 0.35037218E-04 0.48577744E-10 0.49976895E-10
  0.57367441E-06 0.41886401E-06 0.12912228E-12
     ROW 12
 -0.11704355E-09-0.18221843E-08-0.24303077E-09 0.27534175E-06 0.32367138E-10
 -0.18557687E-04 0.11257493E-05 0.16697467E-05 0.16327156E-09 0.33804863E-04
  0.58009459E-06 0.41542589E-03 0.65077156E-10 0.20228804E-04 0.31524314E-04
  0.60099638E-07-0.55943083E-06 0.23635444E-06
     ROW 13
  0.12145961E-11-0.12527235E-10-0.28197411E-09-0.35942290E-10-0.32092687E-06
  0.56813289E-08 0.62430200E-05-0.17379729E-10 0.79431767E-06 0.28526708E-06
  0.35037218E-04 0.65077153E-10 0.29396894E-03 0.81028580E-06-0.25483101E-12
 -0.16505619E-04 0.21554588E-10 0.43665455E-16
     ROW 14
 -0.80212118E-12-0.19563651E-10-0.47344581E-09 0.49413285E-10 0.76067032E-07
 -0.15320591E-06 0.10515792E-04-0.47256965E-06 0.80531601E-06-0.36926746E-06
  0.48577739E-10 0.20228804E-04 0.81028580E-06 0.29504370E-03-0.20678828E-06
 -0.19209076E-04 0.99136846E-05 0.12880046E-10
     ROW 15
 -0.60674786E-12-0.33764639E-10-0.11181053E-11-0.10882075E-10-0.18353443E-11
 -0.23875501E-06 0.76071542E-10 0.10311945E-04-0.10724606E-11-0.57546412E-06
  0.49976894E-10 0.31524314E-04-0.25483101E-12-0.20678828E-06 0.29485414E-03
  0.12183230E-10 0.95785999E-05-0.21507372E-04
     ROW 16
  0.60588580E-13 0.12938081E-12 0.10421657E-10-0.12799023E-09-0.14782542E-10
  0.10042076E-10-0.15845639E-06-0.47083786E-09-0.73161474E-05-0.16848015E-05
  0.57367441E-06 0.60099638E-07-0.16505619E-04-0.19209076E-04 0.12183230E-10
  0.21715937E-03 0.30028059E-06 0.24994426E-13
     ROW 17
  0.97651710E-13-0.85399704E-13-0.40220396E-11-0.21729856E-09-0.26210851E-10
  0.15843943E-10 0.62035019E-07 0.39251025E-07-0.12838797E-10-0.85907443E-05
  0.41886401E-06-0.55943083E-06 0.21554587E-10 0.99136846E-05 0.95785999E-05
  0.30028059E-06 0.21758379E-03 0.58159486E-07
     ROW 18
  0.72058787E-15 0.22426437E-12 0.67046829E-15 0.24227427E-12 0.41529477E-15
  0.17838910E-10 0.30142367E-12-0.19328765E-06 0.18125719E-15 0.33253228E-10
  0.12912227E-12 0.23635444E-06 0.43665538E-16 0.12880046E-10-0.21507372E-04
  0.24994426E-13 0.58159486E-07 0.21624985E-03
 eigenphases
  0.2077317E-03  0.2100849E-03  0.2169247E-03  0.2850242E-03  0.2922113E-03
  0.3008126E-03  0.4097618E-03  0.4241272E-03  0.5871117E-03  0.6215467E-03
  0.9126027E-03  0.9503720E-03  0.1511722E-02  0.1606817E-02  0.2990465E-02
  0.6267067E-02  0.2045355E-01  0.3468848E-01
 eigenphase sum 0.729364E-01  scattering length=  -0.38115
 eps+pi 0.321453E+01  eps+2*pi 0.635612E+01

Iter =   1 c.s. =      0.16061886 angs^2  rmsk=     0.00227643
Time Now =        61.3506  Delta time =         3.8909 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.20000000E+01 eV (  0.73498652E-01 AU)
Time Now =        61.4205  Delta time =         0.0699 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) =T2
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    38
Number of asymptotic solutions on the right (NAsymR) =    18
Number of asymptotic solutions on the left (NAsymL) =    18
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   24
Number of orthogonality constraints (NOrthUse) =    1
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   20
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        61.4806  Delta time =         0.0601 Energy independent setup

Compute solution for E =    2.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.56737118E+00
 i =  2  lval =   3  stpote = -0.13566693E-14
 i =  3  lval =   3  stpote =  0.19718451E-14
 i =  4  lval =   4  stpote = -0.67059160E+01
Number of asymptotic regions =      17
Final point in integration =   0.11981198E+03
Iter =   1 c.s. =      0.43889343 angs^2  rmsk=     0.00755512
     REAL PART -  Final k matrix
     ROW  1
 -0.82428685E-01-0.13760008E-01-0.25273464E-03-0.12501300E-02-0.74992529E-04
  0.37083005E-04-0.33025544E-07-0.72194509E-07-0.11658737E-06-0.25214780E-06
  0.10936107E-07-0.86817904E-08 0.13664585E-09-0.13595088E-09-0.11334363E-09
  0.15039998E-10 0.22194764E-10 0.61138260E-12
     ROW  2
 -0.13760009E-01 0.10121757E+00 0.74789196E-02-0.38942109E-03 0.12259244E-03
  0.44819393E-03-0.14727069E-04-0.19867924E-04-0.11556964E-06-0.55082928E-07
 -0.20593819E-07-0.61733335E-07-0.96775228E-09-0.15504004E-08-0.22102219E-08
  0.28532508E-10-0.10182002E-10 0.28947241E-10
     ROW  3
 -0.25273468E-03 0.74789195E-02 0.26084385E-01-0.52023209E-03 0.97048333E-04
  0.12371250E-03-0.19381938E-03-0.37265600E-06-0.92337100E-05 0.26784367E-05
 -0.11591286E-07-0.20302409E-07-0.93071102E-08-0.15350405E-07-0.29852006E-09
  0.67010198E-09-0.24386084E-09 0.95355585E-12
     ROW  4
 -0.12501300E-02-0.38942109E-03-0.52023208E-03 0.11980227E-01 0.94781602E-03
 -0.56136546E-03 0.18464126E-04-0.26220495E-04 0.51051155E-04 0.11077820E-03
 -0.35923924E-05 0.22785728E-05-0.38476624E-08 0.43049445E-08-0.19584939E-09
 -0.41809932E-08-0.70513695E-08 0.48543428E-10
     ROW  5
 -0.74992531E-04 0.12259244E-03 0.97048333E-04 0.94781602E-03 0.62341923E-02
  0.50603810E-04-0.24448327E-03-0.12392835E-06 0.19307847E-04 0.21534416E-04
 -0.63897455E-04 0.12613696E-08-0.25641156E-05 0.57398488E-06-0.31604168E-09
 -0.95713659E-09-0.20436983E-08 0.50855472E-12
     ROW  6
  0.37083005E-04 0.44819393E-03 0.12371250E-03-0.56136546E-03 0.50603810E-04
  0.63567055E-02-0.31009973E-03-0.45969587E-03 0.44495960E-05-0.21358579E-04
 -0.89988007E-05-0.73541261E-04 0.22543046E-07-0.12509462E-05-0.19495624E-05
  0.96177968E-09 0.10393311E-08 0.16402923E-08
     ROW  7
 -0.33025585E-07-0.14727071E-04-0.19381938E-03 0.18464126E-04-0.24448327E-03
 -0.31009973E-03 0.37902949E-02-0.73458691E-05 0.31426134E-03-0.68219517E-04
  0.98662401E-05 0.90389584E-05 0.24620228E-04 0.41461993E-04 0.51283277E-08
 -0.12896866E-05 0.50159460E-06 0.44275263E-10
     ROW  8
 -0.72194525E-07-0.19867926E-04-0.37265602E-06-0.26220495E-04-0.12392835E-06
 -0.45969587E-03-0.73458691E-05 0.37341017E-02-0.18840711E-07-0.10118440E-03
 -0.47106243E-06 0.13405467E-04-0.12009280E-08-0.18581320E-05 0.40653713E-04
 -0.16222624E-08 0.32341506E-06-0.15401462E-05
     ROW  9
 -0.11658754E-06-0.11556971E-06-0.92337106E-05 0.51051155E-04 0.19307847E-04
  0.44495960E-05 0.31426134E-03-0.18840711E-07 0.24192762E-02 0.16289957E-04
 -0.12000335E-03 0.11486502E-07 0.63207257E-05 0.64732694E-05-0.15338988E-09
 -0.28594259E-04-0.11343257E-08 0.19336512E-12
     ROW 10
 -0.25214817E-06-0.55082942E-07 0.26784369E-05 0.11077820E-03 0.21534416E-04
 -0.21358579E-04-0.68219517E-04-0.10118440E-03 0.16289957E-04 0.24503858E-02
 -0.14766774E-03 0.13545887E-03 0.22142791E-05-0.29263420E-05-0.45607208E-05
 -0.65861941E-05-0.33575817E-04 0.22172093E-08
     ROW 11
  0.10936149E-07-0.20593871E-07-0.11591292E-07-0.35923926E-05-0.63897455E-04
 -0.89988007E-05 0.98662401E-05-0.47106243E-06-0.12000335E-03-0.14766774E-03
  0.16680707E-02 0.45981147E-05 0.14039552E-03 0.33064871E-08 0.34370031E-08
  0.45677325E-05 0.33599951E-05 0.17105212E-10
     ROW 12
 -0.86818179E-08-0.61733486E-07-0.20302424E-07 0.22785729E-05 0.12613705E-08
 -0.73541261E-04 0.90389584E-05 0.13405467E-04 0.11486502E-07 0.13545887E-03
  0.45981147E-05 0.16749543E-02 0.44556528E-08 0.81061286E-04 0.12632489E-03
  0.45919929E-06-0.44579785E-05 0.18559592E-05
     ROW 13
  0.13664724E-09-0.96775777E-09-0.93071293E-08-0.38476651E-08-0.25641156E-05
  0.22543045E-07 0.24620228E-04-0.12009280E-08 0.63207257E-05 0.22142791E-05
  0.14039552E-03 0.44556527E-08 0.11812568E-02 0.65155331E-05-0.34178668E-10
 -0.66231714E-04 0.15184955E-08 0.44385196E-13
     ROW 14
 -0.13595168E-09-0.15504091E-08-0.15350437E-07 0.43049469E-08 0.57398489E-06
 -0.12509463E-05 0.41461993E-04-0.18581320E-05 0.64732694E-05-0.29263420E-05
  0.33064869E-08 0.81061286E-04 0.65155331E-05 0.11898517E-02-0.16259320E-05
 -0.77082724E-04 0.39780260E-04 0.87181150E-09
     ROW 15
 -0.11334421E-09-0.22102355E-08-0.29852078E-09-0.19584897E-09-0.31604175E-09
 -0.19495624E-05 0.51283278E-08 0.40653713E-04-0.15338987E-09-0.45607208E-05
  0.34370031E-08 0.12632489E-03-0.34178668E-10-0.16259320E-05 0.11883611E-02
  0.81532940E-09 0.38435384E-04-0.86301602E-04
     ROW 16
  0.15040151E-10 0.28532813E-10 0.67010546E-09-0.41809988E-08-0.95713675E-09
  0.96178003E-09-0.12896866E-05-0.16222624E-08-0.28594259E-04-0.65861941E-05
  0.45677325E-05 0.45919929E-06-0.66231714E-04-0.77082724E-04 0.81532939E-09
  0.87710256E-03 0.24029060E-05 0.31645501E-11
     ROW 17
  0.22195013E-10-0.10182154E-10-0.24386214E-09-0.70513790E-08-0.20436989E-08
  0.10393312E-08 0.50159460E-06 0.32341506E-06-0.11343256E-08-0.33575817E-04
  0.33599951E-05-0.44579785E-05 0.15184955E-08 0.39780260E-04 0.38435384E-04
  0.24029060E-05 0.88048792E-03 0.45525701E-06
     ROW 18
  0.61138305E-12 0.28947640E-10 0.95356062E-12 0.48543505E-10 0.50855543E-12
  0.16402929E-08 0.44275265E-10-0.15401462E-05 0.19336515E-12 0.22172093E-08
  0.17105211E-10 0.18559592E-05 0.44385195E-13 0.87181149E-09-0.86301602E-04
  0.31645501E-11 0.45525701E-06 0.86977928E-03
 eigenphases
 -0.8327882E-01  0.8377845E-03  0.8467211E-03  0.8777409E-03  0.1144209E-02
  0.1178147E-02  0.1214441E-02  0.1648380E-02  0.1710202E-02  0.2347619E-02
  0.2505796E-02  0.3647456E-02  0.3822193E-02  0.6035877E-02  0.6487647E-02
  0.1218288E-01  0.2537321E-01  0.1026120E+00
 eigenphase sum 0.911935E-01  scattering length=  -0.23851
 eps+pi 0.323279E+01  eps+2*pi 0.637438E+01

Iter =   1 c.s. =      0.43889343 angs^2  rmsk=     0.00755512
Time Now =        65.6017  Delta time =         4.1211 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.10000000E+02 eV (  0.36749326E+00 AU)
Time Now =        65.6726  Delta time =         0.0709 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) =T2
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    38
Number of asymptotic solutions on the right (NAsymR) =    18
Number of asymptotic solutions on the left (NAsymL) =    18
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   24
Number of orthogonality constraints (NOrthUse) =    1
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   20
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        65.7320  Delta time =         0.0594 Energy independent setup

Compute solution for E =   10.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.37004250E+00
 i =  2  lval =   3  stpote = -0.14547721E-14
 i =  3  lval =   3  stpote =  0.31024409E-14
 i =  4  lval =   4  stpote = -0.67046716E+01
Number of asymptotic regions =      24
Final point in integration =   0.78841920E+02
Iter =   1 c.s. =      4.87071540 angs^2  rmsk=     0.08243287
     REAL PART -  Final k matrix
     ROW  1
 -0.78158101E+00-0.11342809E+00-0.98036608E-02-0.13451335E-01-0.18736966E-02
  0.77159928E-03 0.81388398E-05-0.84145581E-05-0.16548415E-04-0.36018674E-04
  0.32809253E-05-0.28835968E-05 0.63593874E-07-0.12390662E-06-0.10486862E-06
  0.21981144E-07 0.25627014E-07 0.20424337E-08
     ROW  2
 -0.11342810E+00 0.12005639E+01 0.20307072E+00-0.34644992E-01 0.10311649E-02
  0.12182984E-01-0.12470249E-02-0.71142493E-03-0.84161143E-04-0.63878745E-04
 -0.13482261E-06-0.18862546E-04-0.59776612E-06-0.12563620E-05-0.10546374E-05
  0.86288392E-07 0.19609456E-07 0.23893638E-07
     ROW  3
 -0.98036616E-02 0.20307072E+00 0.17165837E+00-0.10305879E-01 0.13525988E-02
  0.37454588E-02-0.17266859E-02-0.12727376E-03-0.15521905E-03 0.16632691E-04
 -0.14834560E-05-0.68708386E-05-0.84365341E-06-0.13684349E-05-0.32853459E-06
  0.11997133E-06-0.21831917E-07 0.60253705E-08
     ROW  4
 -0.13451335E-01-0.34644992E-01-0.10305879E-01 0.68174733E-01 0.60115050E-02
 -0.39334681E-02 0.27983275E-03-0.26019892E-03 0.32121209E-03 0.68370379E-03
 -0.53515527E-04 0.35660904E-04-0.60495581E-06 0.69567136E-06 0.13928713E-06
 -0.26448385E-06-0.41822995E-06 0.11352561E-07
     ROW  5
 -0.18736966E-02 0.10311649E-02 0.13525988E-02 0.60115050E-02 0.31655914E-01
  0.57666358E-03-0.13267691E-02-0.16801776E-04 0.21955011E-03 0.27459462E-03
 -0.33774062E-03 0.27983390E-06-0.28810247E-04 0.43428442E-05-0.11865716E-06
 -0.11740175E-06-0.30900996E-06 0.19312129E-08
     ROW  6
  0.77159925E-03 0.12182984E-01 0.37454588E-02-0.39334681E-02 0.57666358E-03
  0.33293961E-01-0.17184368E-02-0.24953152E-02 0.26375354E-04-0.24965881E-03
 -0.47267695E-04-0.39120516E-03-0.12569876E-05-0.15850990E-04-0.24655496E-04
  0.17190631E-06 0.12793945E-06 0.23237150E-06
     ROW  7
  0.81388427E-05-0.12470249E-02-0.17266859E-02 0.27983275E-03-0.13267691E-02
 -0.17184368E-02 0.19312762E-01-0.59430453E-04 0.16122528E-02-0.34796814E-03
  0.11067687E-03 0.10553087E-03 0.12485441E-03 0.20919759E-03 0.70309235E-06
 -0.15367670E-04 0.57758117E-05 0.82961116E-08
     ROW  8
 -0.84145572E-05-0.71142493E-03-0.12727376E-03-0.26019892E-03-0.16801776E-04
 -0.24953152E-02-0.59430453E-04 0.18633920E-01-0.20086980E-05-0.51595840E-03
 -0.18309646E-05 0.15593165E-03-0.10199882E-06-0.86585180E-05 0.20439138E-03
  0.11878176E-06 0.40632874E-05-0.16312615E-04
     ROW  9
 -0.16548415E-04-0.84161144E-04-0.15521905E-03 0.32121209E-03 0.21955011E-03
  0.26375354E-04 0.16122527E-02-0.20086980E-05 0.12064268E-01 0.18647374E-03
 -0.60504019E-03 0.16188667E-05 0.69680080E-04 0.75349015E-04-0.38239240E-07
 -0.14203653E-03-0.16704726E-06 0.62547404E-09
     ROW 10
 -0.36018674E-04-0.63878745E-04 0.16632691E-04 0.68370379E-03 0.27459462E-03
 -0.24965880E-03-0.34796814E-03-0.51595840E-03 0.18647374E-03 0.12411377E-01
 -0.74702239E-03 0.68411289E-03 0.21020803E-04-0.31486872E-04-0.49172926E-04
 -0.32910405E-04-0.16679331E-03 0.26862346E-06
     ROW 11
  0.32809255E-05-0.13482266E-06-0.14834560E-05-0.53515527E-04-0.33774062E-03
 -0.47267695E-04 0.11067687E-03-0.18309647E-05-0.60504019E-03-0.74702239E-03
  0.83987648E-02 0.48612859E-04 0.70414583E-03 0.42331243E-06 0.43801445E-06
  0.50594449E-04 0.38738245E-04 0.26729503E-08
     ROW 12
 -0.28835968E-05-0.18862547E-04-0.68708387E-05 0.35660904E-04 0.27983390E-06
 -0.39120516E-03 0.10553087E-03 0.15593165E-03 0.16188667E-05 0.68411289E-03
  0.48612859E-04 0.84741474E-02 0.56891634E-06 0.40705246E-03 0.63434310E-03
  0.39069689E-05-0.49609197E-04 0.18970918E-04
     ROW 13
  0.63593880E-07-0.59776615E-06-0.84365349E-06-0.60495582E-06-0.28810247E-04
 -0.12569876E-05 0.12485441E-03-0.10199882E-06 0.69680080E-04 0.21020803E-04
  0.70414583E-03 0.56891633E-06 0.58929235E-02 0.74138703E-04-0.60496218E-08
 -0.33185609E-03 0.20940283E-06 0.13887074E-09
     ROW 14
 -0.12390662E-06-0.12563621E-05-0.13684350E-05 0.69567137E-06 0.43428442E-05
 -0.15850990E-04 0.20919759E-03-0.86585179E-05 0.75349014E-04-0.31486872E-04
  0.42331242E-06 0.40705246E-03 0.74138703E-04 0.59878291E-02-0.16252153E-04
 -0.38661628E-03 0.19929775E-03 0.10449468E-06
     ROW 15
 -0.10486862E-06-0.10546375E-05-0.32853459E-06 0.13928713E-06-0.11865716E-06
 -0.24655496E-04 0.70309234E-06 0.20439138E-03-0.38239239E-07-0.49172926E-04
  0.43801445E-06 0.63434310E-03-0.60496218E-08-0.16252153E-04 0.59728808E-02
  0.97253069E-07 0.19252277E-03-0.43234824E-03
     ROW 16
  0.21981143E-07 0.86288399E-07 0.11997135E-06-0.26448390E-06-0.11740175E-06
  0.17190631E-06-0.15367670E-04 0.11878176E-06-0.14203653E-03-0.32910405E-04
  0.50594449E-04 0.39069689E-05-0.33185609E-03-0.38661628E-03 0.97253068E-07
  0.44106310E-02 0.26518301E-04 0.35182566E-09
     ROW 17
  0.25627014E-07 0.19609461E-07-0.21831924E-07-0.41823003E-06-0.30900996E-06
  0.12793945E-06 0.57758117E-05 0.40632874E-05-0.16704725E-06-0.16679331E-03
  0.38738245E-04-0.49609197E-04 0.20940283E-06 0.19929775E-03 0.19252277E-03
  0.26518301E-04 0.44473203E-02 0.43998486E-05
     ROW 18
  0.20424337E-08 0.23893639E-07 0.60253706E-08 0.11352561E-07 0.19312129E-08
  0.23237150E-06 0.82961113E-08-0.16312615E-04 0.62547403E-09 0.26862345E-06
  0.26729502E-08 0.18970918E-04 0.13887074E-09 0.10449468E-06-0.43234824E-03
  0.35182566E-09 0.43998486E-05 0.43271012E-02
 eigenphases
 -0.6675887E+00  0.4186378E-02  0.4239997E-02  0.4433288E-02  0.5692434E-02
  0.5924713E-02  0.6128294E-02  0.8289754E-02  0.8650647E-02  0.1166342E-01
  0.1271573E-01  0.1818565E-01  0.1942062E-01  0.3026703E-01  0.3391326E-01
  0.6843005E-01  0.1326686E+00  0.8947683E+00
 eigenphase sum 0.601990E+00  scattering length=  -0.80141
 eps+pi 0.374358E+01  eps+2*pi 0.688517E+01

Iter =   1 c.s. =      4.87071540 angs^2  rmsk=     0.08243287
Time Now =        69.9866  Delta time =         4.2546 End ScatStab

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

 Off set energy for computing fege eta (ecor) =  0.13000000E+02  eV
 Do E =  0.20000000E+02 eV (  0.73498652E+00 AU)
Time Now =        70.0552  Delta time =         0.0686 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) =T2
Form of the Green's operator used (iGrnType) =     0
Flag for dipole operator (DipoleFlag) =     F
Maximum l for computed scattering solutions (lna) =   10
Maximum number of iterations (itmax) =   -1
Convergence criterion on change in rmsq k matrix (cutkdf) =  0.10000000E-05
Model exchange scale factor (excscl) =  0.10000000E+01
Maximum l to include in potential (lpotct) =   -1
General print flag (iprnfg) =    0
Number of integration regions (NIntRegionR) =   40
Factor for number of points in asymptotic region (PntFac) =  30.0
Asymptotic cutoff (EpsAsym) =  0.10000000E-05
Asymptotic cutoff type (iAsymCond) =    1
Use fixed asymptotic polarization =  0.17500000E+02  au
Number of integration regions used =    52
Number of partial waves (np) =    38
Number of asymptotic solutions on the right (NAsymR) =    18
Number of asymptotic solutions on the left (NAsymL) =    18
Maximum in the asymptotic region (lpasym) =   12
Number of partial waves in the asymptotic region (npasym) =   24
Number of orthogonality constraints (NOrthUse) =    1
Found polarization potential
Maximum l used in usual function (lmax) =   20
Maximum m used in usual function (LMax) =   20
Maxamum l used in expanding static potential (lpotct) =   40
Maximum l used in exapnding the exchange potential (lmaxab) =   40
Higest l included in the expansion of the wave function (lnp) =   20
Higest l included in the K matrix (lna) =   10
Highest l used at large r (lpasym) =   12
Higest l used in the asymptotic potential (lpzb) =   24
Time Now =        70.1167  Delta time =         0.0616 Energy independent setup

Compute solution for E =   20.0000000000 eV
Found fege potential
Charge on the molecule (zz) =  0.0
Assumed asymptotic polarization is  0.17500000E+02 au
 stpote at the end of the grid
 i =  1  lval =   6  stpote = -0.25791547E+00
 i =  2  lval =   3  stpote = -0.18013639E-14
 i =  3  lval =   3  stpote =  0.35498688E-14
 i =  4  lval =   4  stpote = -0.67039645E+01
Number of asymptotic regions =      27
Final point in integration =   0.64462314E+02
Iter =   1 c.s. =      4.00875784 angs^2  rmsk=     0.22593123
     REAL PART -  Final k matrix
     ROW  1
 -0.12409352E+01 0.69828325E+00 0.22102843E+00-0.12261098E+00-0.11591309E-01
  0.25392959E-01-0.31495299E-02-0.12878430E-02-0.57751628E-03-0.78508856E-03
  0.77000874E-04-0.13324473E-03-0.92570289E-06-0.10563377E-04-0.76911333E-05
  0.15033397E-05 0.11503557E-05 0.20586887E-06
     ROW  2
  0.69828324E+00 0.34746646E+01 0.84603555E+00-0.23669087E+00-0.49365136E-02
  0.75450364E-01-0.11053447E-01-0.45221291E-02-0.12887383E-02-0.12316134E-02
  0.68906488E-04-0.32556314E-03-0.98674259E-05-0.28708978E-04-0.21125342E-04
  0.32727482E-05 0.16728321E-05 0.59684342E-06
     ROW  3
  0.22102843E+00 0.84603556E+00 0.45777809E+00-0.73008804E-01 0.25184652E-02
  0.26446207E-01-0.78645224E-02-0.14460541E-02-0.92659839E-03-0.26235804E-03
  0.36803699E-05-0.12723008E-03-0.11072362E-04-0.20709349E-04-0.84157368E-05
  0.24072570E-05 0.11756259E-06 0.23161866E-06
     ROW  4
 -0.12261098E+00-0.23669087E+00-0.73008804E-01 0.16455363E+00 0.18112428E-01
 -0.16370321E-01 0.17676487E-02-0.42168132E-03 0.12021147E-02 0.23950467E-02
 -0.27587084E-03 0.20825469E-03-0.59399205E-05 0.94364519E-05 0.39121204E-05
 -0.30303081E-05-0.43291545E-05 0.62782644E-07
     ROW  5
 -0.11591309E-01-0.49365136E-02 0.25184652E-02 0.18112428E-01 0.65744537E-01
  0.16123837E-02-0.33542121E-02-0.14126828E-03 0.71579360E-03 0.10329811E-02
 -0.94059894E-03 0.51772850E-05-0.10431019E-03 0.81690507E-05-0.17378402E-05
 -0.10639741E-05-0.32810196E-05 0.64547501E-07
     ROW  6
  0.25392958E-01 0.75450364E-01 0.26446207E-01-0.16370321E-01 0.16123837E-02
  0.72950271E-01-0.48188883E-02-0.64234794E-02-0.59866425E-04-0.87467125E-03
 -0.12625638E-03-0.11145372E-02-0.11055279E-04-0.66056826E-04-0.10067087E-03
  0.21206800E-05 0.11973313E-05 0.21260004E-05
     ROW  7
 -0.31495299E-02-0.11053447E-01-0.78645224E-02 0.17676487E-02-0.33542121E-02
 -0.48188883E-02 0.40268832E-01-0.58572698E-04 0.36873747E-02-0.77585688E-03
  0.34058627E-03 0.34450112E-03 0.30664535E-03 0.50771611E-03 0.67597071E-05
 -0.53425958E-04 0.19412114E-04 0.13134580E-07
     ROW  8
 -0.12878430E-02-0.45221291E-02-0.14460541E-02-0.42168132E-03-0.14126828E-03
 -0.64234794E-02-0.58572698E-04 0.37924107E-01-0.10659173E-04-0.11528941E-02
  0.85385813E-05 0.50031844E-03-0.11566496E-06-0.15854367E-04 0.49023585E-03
  0.82683185E-06 0.14491316E-04-0.50095432E-04
     ROW  9
 -0.57751627E-03-0.12887383E-02-0.92659840E-03 0.12021147E-02 0.71579360E-03
 -0.59866425E-04 0.36873747E-02-0.10659173E-04 0.24313889E-01 0.57721950E-03
 -0.12932657E-02 0.15398938E-04 0.20141134E-03 0.23241845E-03-0.31251232E-06
 -0.31066373E-03-0.14905422E-05 0.20230714E-07
     ROW 10
 -0.78508856E-03-0.12316134E-02-0.26235804E-03 0.23950467E-02 0.10329811E-02
 -0.87467125E-03-0.77585688E-03-0.11528941E-02 0.57721950E-03 0.25350891E-01
 -0.16143397E-02 0.14700468E-02 0.48341585E-04-0.87795032E-04-0.13808747E-03
 -0.73277499E-04-0.36488759E-03 0.20288772E-05
     ROW 11
  0.77000874E-04 0.68906489E-04 0.36803701E-05-0.27587084E-03-0.94059894E-03
 -0.12625638E-03 0.34058627E-03 0.85385812E-05-0.12932657E-02-0.16143397E-02
  0.16952798E-01 0.13119394E-03 0.14492170E-02 0.34401930E-05 0.35135857E-05
  0.14404749E-03 0.11584446E-03-0.56574164E-08
     ROW 12
 -0.13324473E-03-0.32556315E-03-0.12723008E-03 0.20825469E-03 0.51772850E-05
 -0.11145372E-02 0.34450112E-03 0.50031844E-03 0.15398938E-04 0.14700468E-02
  0.13119394E-03 0.17167000E-01 0.45925619E-05 0.84105884E-03 0.13106057E-02
  0.68052102E-05-0.14211978E-03 0.48268814E-04
     ROW 13
 -0.92570316E-06-0.98674267E-05-0.11072362E-04-0.59399205E-05-0.10431019E-03
 -0.11055279E-04 0.30664535E-03-0.11566495E-06 0.20141133E-03 0.48341585E-04
  0.14492170E-02 0.45925619E-05 0.11766116E-01 0.21658343E-03-0.56194370E-08
 -0.67080735E-03 0.18176536E-05 0.53444748E-08
     ROW 14
 -0.10563377E-04-0.28708980E-04-0.20709350E-04 0.94364522E-05 0.81690507E-05
 -0.66056826E-04 0.50771611E-03-0.15854367E-04 0.23241845E-03-0.87795032E-04
  0.34401930E-05 0.84105884E-03 0.21658343E-03 0.12033103E-01-0.39480110E-04
 -0.78401522E-03 0.40267951E-03 0.75064104E-06
     ROW 15
 -0.76911338E-05-0.21125344E-04-0.84157373E-05 0.39121205E-05-0.17378402E-05
 -0.10067088E-03 0.67597071E-05 0.49023585E-03-0.31251232E-06-0.13808747E-03
  0.35135857E-05 0.13106057E-02-0.56194370E-08-0.39480110E-04 0.11996246E-01
  0.70311874E-06 0.38878767E-03-0.87346740E-03
     ROW 16
  0.15033398E-05 0.32727487E-05 0.24072571E-05-0.30303082E-05-0.10639741E-05
  0.21206800E-05-0.53425958E-04 0.82683184E-06-0.31066372E-03-0.73277498E-04
  0.14404749E-03 0.68052102E-05-0.67080735E-03-0.78401522E-03 0.70311873E-06
  0.88486376E-02 0.74070264E-04-0.43943536E-08
     ROW 17
  0.11503558E-05 0.16728323E-05 0.11756263E-06-0.43291547E-05-0.32810196E-05
  0.11973313E-05 0.19412114E-04 0.14491316E-04-0.14905421E-05-0.36488759E-03
  0.11584446E-03-0.14211978E-03 0.18176536E-05 0.40267951E-03 0.38878767E-03
  0.74070264E-04 0.89486439E-02 0.10007126E-04
     ROW 18
  0.20586891E-06 0.59684354E-06 0.23161869E-06 0.62782638E-07 0.64547501E-07
  0.21260004E-05 0.13134579E-07-0.50095432E-04 0.20230714E-07 0.20288772E-05
 -0.56574167E-08 0.48268814E-04 0.53444747E-08 0.75064104E-06-0.87346740E-03
 -0.43943536E-08 0.10007126E-04 0.86058258E-02
 eigenphases
 -0.9342926E+00  0.8337591E-02  0.8482857E-02  0.8918216E-02  0.1132277E-01
  0.1188816E-01  0.1233928E-01  0.1667247E-01  0.1751046E-01  0.2329042E-01
  0.2601621E-01  0.3665630E-01  0.4020368E-01  0.6068783E-01  0.7289111E-01
  0.1527623E+00  0.2353845E+00  0.1314929E+01
 eigenphase sum 0.112400E+01  scattering length=  -1.72152
 eps+pi 0.426559E+01  eps+2*pi 0.740719E+01

Iter =   1 c.s. =      4.00875784 angs^2  rmsk=     0.22593123
Time Now =        73.9810  Delta time =         3.8643 End ScatStab

+ Command TotalCrossSection
+
Symmetry A1 -
        E (eV)      XS(angs^2)    EPS(radians)
       0.100000       0.073868       0.014688
       0.500000       1.917781      -0.129832
       2.000000       6.070496      -0.476955
      10.000000       4.880406      -1.037323
      20.000000       3.151268      -0.892125
Symmetry A2 -
        E (eV)      XS(angs^2)    EPS(radians)
       0.100000       0.000019       0.000285
       0.500000       0.000097       0.001448
       2.000000       0.000388       0.005806
      10.000000       0.001942       0.029047
      20.000000       0.003989       0.058688
Symmetry E -
        E (eV)      XS(angs^2)    EPS(radians)
       0.100000       0.007280       0.005337
       0.500000       0.037941       0.027169
       2.000000       0.181733       0.116544
      10.000000       0.866462       0.589304
      20.000000       0.868055       0.942335
Symmetry T1 -
        E (eV)      XS(angs^2)    EPS(radians)
       0.100000       0.001046       0.002963
       0.500000       0.005305       0.014945
       2.000000       0.022255       0.060691
      10.000000       0.142735       0.328727
      20.000000       0.261217       0.645193
Symmetry T2 -
        E (eV)      XS(angs^2)    EPS(radians)
       0.100000       0.158837       0.025144
       0.500000       0.160619       0.072936
       2.000000       0.438893       0.091193
      10.000000       4.870715       0.601990
      20.000000       4.008758       1.124001

 Total Cross Sections

 Energy      Total Cross Section
   0.10000     0.56810
   0.50000     2.49153
   2.00000     7.81780
  10.00000    21.65562
  20.00000    17.70129
Time Now =        74.0416  Delta time =         0.0606 Finalize