Execution on n0207.lr6
----------------------------------------------------------------------
ePolyScat Version E3
----------------------------------------------------------------------
Authors: R. R. Lucchese, N. Sanna, A. P. P. Natalense, and F. A. Gianturco
https://epolyscat.droppages.com
Please cite the following two papers when reporting results obtained with this program
F. A. Gianturco, R. R. Lucchese, and N. Sanna, J. Chem. Phys. 100, 6464 (1994).
A. P. P. Natalense and R. R. Lucchese, J. Chem. Phys. 111, 5344 (1999).
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Starting at 2022-01-14 17:34:41.698 (GMT -0800)
Using 20 processors
Current git commit sha-1 836b26dfd5ffae0073e0f736b518bccf827345c3
----------------------------------------------------------------------
+ Start of Input Records
#
# input file for test28
#
# positron scattering from C2H2 in Sigma-g symmetry
#
LMax 15 # maximum l to be used for wave functions
LMaxK 6
EMax 50.0 # EMax, maximum asymptotic energy in eV
EngForm 0 0 # no charge on the molecule and all orbitals are doubly occupied
VCorr 'POS-FIT' # Polarization potential
PosFitL 25
PosFile '/global/home/users/rlucchese/Applications/ePolyScat/tests/test28.dat'
PosGridTol 1.E-06
PosPlot
2
0.0 0.0
90.0 0.0
EngForm 0 0
Convert '/global/home/users/rlucchese/Applications/ePolyScat/tests/test28.g03' 'gaussian'
GetBlms
ExpOrb
GetPot
ScatContSym 'SG' # Scattering symmetry
ScatPos 0.1 0.5 1.0
TotalCrossSection
+ End of input reached
+ Data Record LMax - 15
+ Data Record LMaxK - 6
+ Data Record EMax - 50.0
+ Data Record EngForm - 0 0
+ Data Record VCorr - 'POS-FIT'
+ Data Record PosFitL - 25
+ Data Record PosFile - '/global/home/users/rlucchese/Applications/ePolyScat/tests/test28.dat'
+ Data Record PosGridTol - 1.E-06
+ Data Record PosPlot
+ 2 / 0.0 0.0 / 90.0 0.0
+ Data Record EngForm - 0 0
+ Command Convert
+ '/global/home/users/rlucchese/Applications/ePolyScat/tests/test28.g03' 'gaussian'
----------------------------------------------------------------------
GaussianCnv - read input from Gaussian output
----------------------------------------------------------------------
Conversion using g03
Changing the conversion factor for Bohr to Angstroms
New Value is 0.5291772083000000
Expansion center is (in Angstroms) -
0.0000000000 0.0000000000 0.0000000000
Command line = # HF/AUG-CC-PVTZ SCF=TIGHT 6D 10F GFINPUT PUNCH=MO UNITS=AU
CardFlag = T
Normal Mode flag = F
Selecting orbitals
from 1 to 7 number already selected 0
Number of orbitals selected is 7
Highest orbital read in is = 7
Time Now = 0.0125 Delta time = 0.0125 End GaussianCnv
Atoms found 4 Coordinates in Angstroms
Z = 1 ZS = 1 r = 0.0000000000 0.0000000000 1.6580180000
Z = 6 ZS = 6 r = 0.0000000000 0.0000000000 0.6019920000
Z = 6 ZS = 6 r = 0.0000000000 0.0000000000 -0.6019920000
Z = 1 ZS = 1 r = 0.0000000000 0.0000000000 -1.6580180000
Maximum distance from expansion center is 1.6580180000
+ Command GetBlms
+
----------------------------------------------------------------------
GetPGroup - determine point group from geometry
----------------------------------------------------------------------
Found point group DAh
Reduce angular grid using nthd = 2 nphid = 4
Found point group for abelian subgroup D2h
Time Now = 0.0473 Delta time = 0.0348 End GetPGroup
List of unique axes
N Vector Z R
1 0.00000 0.00000 1.00000 1 1.65802 6 0.60199 6 0.60199 1 1.65802
List of corresponding x axes
N Vector
1 1.00000 0.00000 0.00000
Computed default value of LMaxA = 15
Determining angular grid in GetAxMax LMax = 15 LMaxA = 15 LMaxAb = 30
MMax = 3 MMaxAbFlag = 2
For axis 1 mvals:
0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
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
----------------------------------------------------------------------
SymGen - generate symmetry adapted functions
----------------------------------------------------------------------
Point group is DAh
LMax 15
The dimension of each irreducable representation is
SG ( 1) A2G ( 1) B1G ( 1) B2G ( 1) PG ( 2)
DG ( 2) FG ( 2) GG ( 2) SU ( 1) A2U ( 1)
B1U ( 1) B2U ( 1) PU ( 2) DU ( 2) FU ( 2)
GU ( 2)
Number of symmetry operations in the abelian subgroup (excluding E) = 7
The operations are -
12 22 32 2 3 21 31
Rep Component Sym Num Num Found Eigenvalues of abelian sub-group
SG 1 1 11 1 1 1 1 1 1 1
A2G 1 2 3 1 -1 -1 1 1 -1 -1
B1G 1 3 5 -1 1 -1 1 -1 1 -1
B2G 1 4 5 -1 -1 1 1 -1 -1 1
PG 1 5 12 -1 -1 1 1 -1 -1 1
PG 2 6 12 -1 1 -1 1 -1 1 -1
DG 1 7 13 1 -1 -1 1 1 -1 -1
DG 2 8 13 1 1 1 1 1 1 1
FG 1 9 11 -1 -1 1 1 -1 -1 1
FG 2 10 11 -1 1 -1 1 -1 1 -1
GG 1 11 12 1 -1 -1 1 1 -1 -1
GG 2 12 12 1 1 1 1 1 1 1
SU 1 13 11 1 -1 -1 -1 -1 1 1
A2U 1 14 3 1 1 1 -1 -1 -1 -1
B1U 1 15 7 -1 -1 1 -1 1 1 -1
B2U 1 16 7 -1 1 -1 -1 1 -1 1
PU 1 17 15 -1 -1 1 -1 1 1 -1
PU 2 18 15 -1 1 -1 -1 1 -1 1
DU 1 19 13 1 -1 -1 -1 -1 1 1
DU 2 20 13 1 1 1 -1 -1 -1 -1
FU 1 21 14 -1 -1 1 -1 1 1 -1
FU 2 22 14 -1 1 -1 -1 1 -1 1
GU 1 23 12 1 -1 -1 -1 -1 1 1
GU 2 24 12 1 1 1 -1 -1 -1 -1
Time Now = 0.2838 Delta time = 0.2365 End SymGen
Number of partial waves for each l in the full symmetry up to LMaxA
SG 1 0( 1) 1( 1) 2( 2) 3( 2) 4( 3) 5( 3) 6( 4) 7( 4) 8( 5) 9( 5)
10( 7) 11( 7) 12( 9) 13( 9) 14( 11) 15( 11)
A2G 1 0( 0) 1( 0) 2( 0) 3( 0) 4( 0) 5( 0) 6( 0) 7( 0) 8( 0) 9( 0)
10( 1) 11( 1) 12( 2) 13( 2) 14( 3) 15( 3)
B1G 1 0( 0) 1( 0) 2( 0) 3( 0) 4( 0) 5( 0) 6( 1) 7( 1) 8( 2) 9( 2)
10( 3) 11( 3) 12( 4) 13( 4) 14( 5) 15( 5)
B2G 1 0( 0) 1( 0) 2( 0) 3( 0) 4( 0) 5( 0) 6( 1) 7( 1) 8( 2) 9( 2)
10( 3) 11( 3) 12( 4) 13( 4) 14( 5) 15( 5)
PG 1 0( 0) 1( 0) 2( 1) 3( 1) 4( 2) 5( 2) 6( 3) 7( 3) 8( 4) 9( 4)
10( 6) 11( 6) 12( 9) 13( 9) 14( 12) 15( 12)
PG 2 0( 0) 1( 0) 2( 1) 3( 1) 4( 2) 5( 2) 6( 3) 7( 3) 8( 4) 9( 4)
10( 6) 11( 6) 12( 9) 13( 9) 14( 12) 15( 12)
DG 1 0( 0) 1( 0) 2( 1) 3( 1) 4( 2) 5( 2) 6( 3) 7( 3) 8( 5) 9( 5)
10( 7) 11( 7) 12( 10) 13( 10) 14( 13) 15( 13)
DG 2 0( 0) 1( 0) 2( 1) 3( 1) 4( 2) 5( 2) 6( 3) 7( 3) 8( 5) 9( 5)
10( 7) 11( 7) 12( 10) 13( 10) 14( 13) 15( 13)
FG 1 0( 0) 1( 0) 2( 0) 3( 0) 4( 1) 5( 1) 6( 2) 7( 2) 8( 4) 9( 4)
10( 6) 11( 6) 12( 8) 13( 8) 14( 11) 15( 11)
FG 2 0( 0) 1( 0) 2( 0) 3( 0) 4( 1) 5( 1) 6( 2) 7( 2) 8( 4) 9( 4)
10( 6) 11( 6) 12( 8) 13( 8) 14( 11) 15( 11)
GG 1 0( 0) 1( 0) 2( 0) 3( 0) 4( 1) 5( 1) 6( 3) 7( 3) 8( 5) 9( 5)
10( 7) 11( 7) 12( 9) 13( 9) 14( 12) 15( 12)
GG 2 0( 0) 1( 0) 2( 0) 3( 0) 4( 1) 5( 1) 6( 3) 7( 3) 8( 5) 9( 5)
10( 7) 11( 7) 12( 9) 13( 9) 14( 12) 15( 12)
SU 1 0( 0) 1( 1) 2( 1) 3( 2) 4( 2) 5( 3) 6( 3) 7( 4) 8( 4) 9( 5)
10( 5) 11( 7) 12( 7) 13( 9) 14( 9) 15( 11)
A2U 1 0( 0) 1( 0) 2( 0) 3( 0) 4( 0) 5( 0) 6( 0) 7( 0) 8( 0) 9( 0)
10( 0) 11( 1) 12( 1) 13( 2) 14( 2) 15( 3)
B1U 1 0( 0) 1( 0) 2( 0) 3( 0) 4( 0) 5( 1) 6( 1) 7( 2) 8( 2) 9( 3)
10( 3) 11( 4) 12( 4) 13( 5) 14( 5) 15( 7)
B2U 1 0( 0) 1( 0) 2( 0) 3( 0) 4( 0) 5( 1) 6( 1) 7( 2) 8( 2) 9( 3)
10( 3) 11( 4) 12( 4) 13( 5) 14( 5) 15( 7)
PU 1 0( 0) 1( 1) 2( 1) 3( 2) 4( 2) 5( 3) 6( 3) 7( 4) 8( 4) 9( 6)
10( 6) 11( 9) 12( 9) 13( 12) 14( 12) 15( 15)
PU 2 0( 0) 1( 1) 2( 1) 3( 2) 4( 2) 5( 3) 6( 3) 7( 4) 8( 4) 9( 6)
10( 6) 11( 9) 12( 9) 13( 12) 14( 12) 15( 15)
DU 1 0( 0) 1( 0) 2( 0) 3( 1) 4( 1) 5( 2) 6( 2) 7( 3) 8( 3) 9( 5)
10( 5) 11( 7) 12( 7) 13( 10) 14( 10) 15( 13)
DU 2 0( 0) 1( 0) 2( 0) 3( 1) 4( 1) 5( 2) 6( 2) 7( 3) 8( 3) 9( 5)
10( 5) 11( 7) 12( 7) 13( 10) 14( 10) 15( 13)
FU 1 0( 0) 1( 0) 2( 0) 3( 1) 4( 1) 5( 2) 6( 2) 7( 4) 8( 4) 9( 6)
10( 6) 11( 8) 12( 8) 13( 11) 14( 11) 15( 14)
FU 2 0( 0) 1( 0) 2( 0) 3( 1) 4( 1) 5( 2) 6( 2) 7( 4) 8( 4) 9( 6)
10( 6) 11( 8) 12( 8) 13( 11) 14( 11) 15( 14)
GU 1 0( 0) 1( 0) 2( 0) 3( 0) 4( 0) 5( 1) 6( 1) 7( 3) 8( 3) 9( 5)
10( 5) 11( 7) 12( 7) 13( 9) 14( 9) 15( 12)
GU 2 0( 0) 1( 0) 2( 0) 3( 0) 4( 0) 5( 1) 6( 1) 7( 3) 8( 3) 9( 5)
10( 5) 11( 7) 12( 7) 13( 9) 14( 9) 15( 12)
----------------------------------------------------------------------
SymGen - generate symmetry adapted functions
----------------------------------------------------------------------
Point group is D2h
LMax 30
The dimension of each irreducable representation is
AG ( 1) B1G ( 1) B2G ( 1) B3G ( 1) AU ( 1)
B1U ( 1) B2U ( 1) B3U ( 1)
Abelian axes
1 1.000000 0.000000 0.000000
2 0.000000 1.000000 0.000000
3 0.000000 0.000000 1.000000
Symmetry operation directions
1 0.000000 0.000000 1.000000 ang = 0 1 type = 0 axis = 3
2 0.000000 0.000000 1.000000 ang = 1 2 type = 2 axis = 3
3 1.000000 0.000000 0.000000 ang = 1 2 type = 2 axis = 1
4 0.000000 1.000000 0.000000 ang = 1 2 type = 2 axis = 2
5 0.000000 0.000000 1.000000 ang = 1 2 type = 3 axis = 3
6 0.000000 0.000000 1.000000 ang = 0 1 type = 1 axis = 3
7 1.000000 0.000000 0.000000 ang = 0 1 type = 1 axis = 1
8 0.000000 1.000000 0.000000 ang = 0 1 type = 1 axis = 2
irep = 1 sym =AG 1 eigs = 1 1 1 1 1 1 1 1
irep = 2 sym =B1G 1 eigs = 1 1 -1 -1 1 1 -1 -1
irep = 3 sym =B2G 1 eigs = 1 -1 -1 1 1 -1 -1 1
irep = 4 sym =B3G 1 eigs = 1 -1 1 -1 1 -1 1 -1
irep = 5 sym =AU 1 eigs = 1 1 1 1 -1 -1 -1 -1
irep = 6 sym =B1U 1 eigs = 1 1 -1 -1 -1 -1 1 1
irep = 7 sym =B2U 1 eigs = 1 -1 -1 1 -1 1 1 -1
irep = 8 sym =B3U 1 eigs = 1 -1 1 -1 -1 1 -1 1
Number of symmetry operations in the abelian subgroup (excluding E) = 7
The operations are -
2 3 4 5 6 7 8
Rep Component Sym Num Num Found Eigenvalues of abelian sub-group
AG 1 1 136 1 1 1 1 1 1 1
B1G 1 2 120 1 -1 -1 1 1 -1 -1
B2G 1 3 120 -1 -1 1 1 -1 -1 1
B3G 1 4 120 -1 1 -1 1 -1 1 -1
AU 1 5 105 1 1 1 -1 -1 -1 -1
B1U 1 6 120 1 -1 -1 -1 -1 1 1
B2U 1 7 120 -1 -1 1 -1 1 1 -1
B3U 1 8 120 -1 1 -1 -1 1 -1 1
Time Now = 0.2884 Delta time = 0.0046 End SymGen
+ Command ExpOrb
+
In GetRMax, RMaxEps = 0.10000000E-05 RMax = 13.4207560879 Angs
----------------------------------------------------------------------
GenGrid - Generate Radial Grid
----------------------------------------------------------------------
HFacGauss 10.00000
HFacWave 10.00000
GridFac 1
MinExpFac 300.00000
Maximum R in the grid (RMax) = 13.42076 Angs
Factors to determine step sizes in the various regions:
In regions controlled by Gaussians (HFacGauss) = 10.0
In regions controlled by the wave length (HFacWave) = 10.0
Factor used to control the minimum exponent at each center (MinExpFac) = 300.0
Maximum asymptotic kinetic energy (EMAx) = 50.00000 eV
Maximum step size (MaxStep) = 13.42076 Angs
Factor to increase grid by (GridFac) = 1
1 Center at = 0.00000 Angs Alpha Max = 0.10000E+01
2 Center at = 0.60199 Angs Alpha Max = 0.10800E+05
3 Center at = 1.65802 Angs Alpha Max = 0.30000E+03
Generated Grid
irg nin ntot step Angs R end Angs
1 8 8 0.21060E-02 0.01685
2 8 16 0.29202E-02 0.04021
3 8 24 0.46817E-02 0.07766
4 8 32 0.62681E-02 0.12781
5 8 40 0.73149E-02 0.18633
6 8 48 0.74746E-02 0.24612
7 8 56 0.68975E-02 0.30130
8 8 64 0.66636E-02 0.35461
9 8 72 0.73544E-02 0.41345
10 8 80 0.85746E-02 0.48204
11 8 88 0.54630E-02 0.52575
12 8 96 0.34725E-02 0.55353
13 8 104 0.22073E-02 0.57119
14 8 112 0.14030E-02 0.58241
15 8 120 0.89181E-03 0.58955
16 8 128 0.62530E-03 0.59455
17 8 136 0.52916E-03 0.59878
18 8 144 0.40135E-03 0.60199
19 8 152 0.50920E-03 0.60607
20 8 160 0.54286E-03 0.61041
21 8 168 0.66917E-03 0.61576
22 8 176 0.10153E-02 0.62388
23 8 184 0.16142E-02 0.63680
24 8 192 0.25663E-02 0.65733
25 8 200 0.40801E-02 0.68997
26 8 208 0.64868E-02 0.74186
27 8 216 0.10313E-01 0.82437
28 8 224 0.16397E-01 0.95554
29 8 232 0.19817E-01 1.11408
30 8 240 0.23105E-01 1.29892
31 8 248 0.16355E-01 1.42976
32 8 256 0.10396E-01 1.51293
33 8 264 0.66081E-02 1.56579
34 8 272 0.42998E-02 1.60019
35 8 280 0.33714E-02 1.62716
36 8 288 0.30678E-02 1.65171
37 8 296 0.78907E-03 1.65802
38 8 304 0.30552E-02 1.68246
39 8 312 0.32571E-02 1.70852
40 8 320 0.40150E-02 1.74064
41 8 328 0.60918E-02 1.78937
42 8 336 0.96851E-02 1.86685
43 8 344 0.15398E-01 1.99003
44 8 352 0.24481E-01 2.18588
45 8 360 0.38921E-01 2.49725
46 8 368 0.50907E-01 2.90451
47 8 376 0.55261E-01 3.34659
48 8 384 0.58728E-01 3.81642
49 8 392 0.61574E-01 4.30901
50 8 400 0.63953E-01 4.82063
51 8 408 0.65966E-01 5.34836
52 8 416 0.67687E-01 5.88986
53 8 424 0.69171E-01 6.44323
54 8 432 0.70461E-01 7.00692
55 8 440 0.71590E-01 7.57964
56 8 448 0.72585E-01 8.16032
57 8 456 0.73466E-01 8.74805
58 8 464 0.74252E-01 9.34207
59 8 472 0.74956E-01 9.94171
60 8 480 0.75590E-01 10.54643
61 8 488 0.76163E-01 11.15573
62 8 496 0.76683E-01 11.76920
63 8 504 0.77157E-01 12.38646
64 8 512 0.77591E-01 13.00718
65 8 520 0.51696E-01 13.42076
Time Now = 0.3093 Delta time = 0.0210 End GenGrid
----------------------------------------------------------------------
AngGCt - generate angular functions
----------------------------------------------------------------------
Maximum scattering l (lmax) = 15
Maximum scattering m (mmaxs) = 15
Maximum numerical integration l (lmaxi) = 30
Maximum numerical integration m (mmaxi) = 30
Maximum l to include in the asymptotic region (lmasym) = 15
Parameter used to determine the cutoff points (PCutRd) = 0.10000000E-07 au
Maximum E used to determine grid (in eV) = 50.00000
Print flag (iprnfg) = 0
lmasymtyts = 14
Actual value of lmasym found = 15
Number of regions of the same l expansion (NAngReg) = 8
Angular regions
1 L = 2 from ( 1) 0.00211 to ( 7) 0.01474
2 L = 4 from ( 8) 0.01685 to ( 15) 0.03729
3 L = 6 from ( 16) 0.04021 to ( 23) 0.07298
4 L = 7 from ( 24) 0.07766 to ( 31) 0.12154
5 L = 9 from ( 32) 0.12781 to ( 39) 0.17901
6 L = 11 from ( 40) 0.18633 to ( 47) 0.23865
7 L = 13 from ( 48) 0.24612 to ( 55) 0.29441
8 L = 15 from ( 56) 0.30130 to ( 520) 13.42076
There are 1 angular regions for computing spherical harmonics
1 lval = 15
Maximum number of processors is 64
Last grid points by processor WorkExp = 1.500
Proc id = -1 Last grid point = 1
Proc id = 0 Last grid point = 64
Proc id = 1 Last grid point = 88
Proc id = 2 Last grid point = 112
Proc id = 3 Last grid point = 136
Proc id = 4 Last grid point = 160
Proc id = 5 Last grid point = 184
Proc id = 6 Last grid point = 208
Proc id = 7 Last grid point = 232
Proc id = 8 Last grid point = 256
Proc id = 9 Last grid point = 280
Proc id = 10 Last grid point = 304
Proc id = 11 Last grid point = 328
Proc id = 12 Last grid point = 352
Proc id = 13 Last grid point = 376
Proc id = 14 Last grid point = 400
Proc id = 15 Last grid point = 424
Proc id = 16 Last grid point = 448
Proc id = 17 Last grid point = 472
Proc id = 18 Last grid point = 496
Proc id = 19 Last grid point = 520
Time Now = 0.3165 Delta time = 0.0072 End AngGCt
----------------------------------------------------------------------
RotOrb - Determine rotation of degenerate orbitals
----------------------------------------------------------------------
R of maximum density
1 Orig 1 Eng = -11.243020 SG 1 at max irg = 152 r = 0.60607
2 Orig 2 Eng = -11.239226 SU 1 at max irg = 152 r = 0.60607
3 Orig 3 Eng = -1.030725 SG 1 at max irg = 160 r = 0.61041
4 Orig 4 Eng = -0.770417 SU 1 at max irg = 240 r = 1.29892
5 Orig 5 Eng = -0.683645 SG 1 at max irg = 256 r = 1.51293
6 Orig 6 Eng = -0.410887 PU 1 at max irg = 216 r = 0.82437
7 Orig 7 Eng = -0.410887 PU 2 at max irg = 216 r = 0.82437
Rotation coefficients for orbital 1 grp = 1 SG 1
1 1.0000000000
Rotation coefficients for orbital 2 grp = 2 SU 1
1 1.0000000000
Rotation coefficients for orbital 3 grp = 3 SG 1
1 1.0000000000
Rotation coefficients for orbital 4 grp = 4 SU 1
1 1.0000000000
Rotation coefficients for orbital 5 grp = 5 SG 1
1 1.0000000000
Rotation coefficients for orbital 6 grp = 6 PU 1
1 0.0000000000 2 1.0000000000
Rotation coefficients for orbital 7 grp = 6 PU 2
1 1.0000000000 2 -0.0000000000
Number of orbital groups and degeneracis are 6
1 1 1 1 1 2
Number of orbital groups and number of electrons when fully occupied
6
2 2 2 2 2 4
Time Now = 0.3499 Delta time = 0.0334 End RotOrb
----------------------------------------------------------------------
ExpOrb - Single Center Expansion Program
----------------------------------------------------------------------
First orbital group to expand (mofr) = 1
Last orbital group to expand (moto) = 6
Orbital 1 of SG 1 symmetry normalization integral = 0.99063611
Orbital 2 of SU 1 symmetry normalization integral = 0.99269796
Orbital 3 of SG 1 symmetry normalization integral = 0.99943083
Orbital 4 of SU 1 symmetry normalization integral = 0.99969256
Orbital 5 of SG 1 symmetry normalization integral = 0.99981025
Orbital 6 of PU 1 symmetry normalization integral = 0.99999566
Time Now = 0.5323 Delta time = 0.1824 End ExpOrb
+ Command GetPot
+
----------------------------------------------------------------------
Den - Electron density construction program
----------------------------------------------------------------------
Total density = 14.00000000
Time Now = 0.5345 Delta time = 0.0022 End Den
----------------------------------------------------------------------
StPot - Compute the static potential from the density
----------------------------------------------------------------------
vasymp = 0.14000000E+02 facnorm = 0.10000000E+01
Time Now = 0.5454 Delta time = 0.0109 Electronic part
Time Now = 0.5464 Delta time = 0.0009 End StPot
----------------------------------------------------------------------
Vposfit - positron polarization potential fitting program
----------------------------------------------------------------------
LMax for fitting = 25
Plots requested:
# Theta(deg) Phi(deg)
-------------------------
1 0.00 0.00
2 90.00 0.00
Reading positron polarization potential from file: /global/home/users/rlucchese/Applications/ePolyScat/tests/test28.dat
Tolerance used to distinguish different coordinates = 0.100E-05
R values found N = 116
0.00100 0.10000 0.20000 0.30000 0.40000
0.50000 0.60000 0.70000 0.80000 0.90000
1.00000 1.10000 1.20000 1.30000 1.40000
1.50000 1.60000 1.70000 1.80000 1.90000
2.00000 2.10000 2.20000 2.30000 2.40000
2.50000 2.60000 2.70000 2.80000 2.90000
3.00000 3.10000 3.20000 3.30000 3.40000
3.50000 3.60000 3.70000 3.80000 3.90000
4.00000 4.10000 4.20000 4.30000 4.40000
4.50000 4.60000 4.70000 4.80000 4.90000
5.00000 5.20000 5.40000 5.60000 5.80000
6.00000 6.20000 6.40000 6.60000 6.80000
7.00000 7.20000 7.40000 7.60000 7.80000
8.00000 8.20000 8.40000 8.60000 8.80000
9.00000 9.20000 9.40000 9.60000 9.80000
10.00000 10.25000 10.50000 10.75000 11.00000
11.25000 11.50000 11.75000 12.00000 12.25000
12.50000 12.75000 13.00000 13.25000 13.50000
13.75000 14.00000 14.25000 14.50000 14.75000
15.00000 15.25000 15.50000 15.75000 16.00000
16.25000 16.50000 16.75000 17.00000 17.25000
17.50000 17.75000 18.00000 18.25000 18.50000
18.75000 19.00000 19.25000 19.50000 19.75000
20.00000
Cos Theta-Phi values found N = 2457
1 -0.99371 -3.13274
2 -0.97493 -3.13274
3 -0.94388 -3.13274
4 -0.90097 -3.13274
5 -0.84672 -3.13274
6 -0.78183 -3.13274
7 -0.70711 -3.13274
8 -0.62349 -3.13274
9 -0.53203 -3.13274
10 -0.43388 -3.13274
11 -0.33028 -3.13274
12 -0.22252 -3.13274
13 -0.11196 -3.13274
14 0.00000 -3.13274
15 0.11196 -3.13274
16 0.22252 -3.13274
17 0.33028 -3.13274
18 0.43388 -3.13274
19 0.53203 -3.13274
20 0.62349 -3.13274
21 0.70711 -3.13274
22 0.78183 -3.13274
23 0.84672 -3.13274
24 0.90097 -3.13274
25 0.94388 -3.13274
26 0.97493 -3.13274
27 0.99371 -3.13274
28 -0.99371 -3.11504
29 -0.97493 -3.11504
30 -0.94388 -3.11504
31 -0.90097 -3.11504
32 -0.84672 -3.11504
33 -0.78183 -3.11504
34 -0.70711 -3.11504
35 -0.62349 -3.11504
36 -0.53203 -3.11504
37 -0.43388 -3.11504
38 -0.33028 -3.11504
39 -0.22252 -3.11504
40 -0.11196 -3.11504
41 0.00000 -3.11504
42 0.11196 -3.11504
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1953 -0.53203 1.86726
1954 -0.43388 1.86726
1955 -0.33028 1.86726
1956 -0.22252 1.86726
1957 -0.11196 1.86726
1958 0.00000 1.86726
1959 0.11196 1.86726
1960 0.22252 1.86726
1961 0.33028 1.86726
1962 0.43388 1.86726
1963 0.53203 1.86726
1964 0.62349 1.86726
1965 0.70711 1.86726
1966 0.78183 1.86726
1967 0.84672 1.86726
1968 0.90097 1.86726
1969 0.94388 1.86726
1970 0.97493 1.86726
1971 0.99371 1.86726
1972 -0.99371 1.88496
1973 -0.97493 1.88496
1974 -0.94388 1.88496
1975 -0.90097 1.88496
1976 -0.84672 1.88496
1977 -0.78183 1.88496
1978 -0.70711 1.88496
1979 -0.62349 1.88496
1980 -0.53203 1.88496
1981 -0.43388 1.88496
1982 -0.33028 1.88496
1983 -0.22252 1.88496
1984 -0.11196 1.88496
1985 0.00000 1.88496
1986 0.11196 1.88496
1987 0.22252 1.88496
1988 0.33028 1.88496
1989 0.43388 1.88496
1990 0.53203 1.88496
1991 0.62349 1.88496
1992 0.70711 1.88496
1993 0.78183 1.88496
1994 0.84672 1.88496
1995 0.90097 1.88496
1996 0.94388 1.88496
1997 0.97493 1.88496
1998 0.99371 1.88496
1999 -0.99371 2.00000
2000 -0.97493 2.00000
2001 -0.94388 2.00000
2002 -0.90097 2.00000
2003 -0.84672 2.00000
2004 -0.78183 2.00000
2005 -0.70711 2.00000
2006 -0.62349 2.00000
2007 -0.53203 2.00000
2008 -0.43388 2.00000
2009 -0.33028 2.00000
2010 -0.22252 2.00000
2011 -0.11196 2.00000
2012 0.00000 2.00000
2013 0.11196 2.00000
2014 0.22252 2.00000
2015 0.33028 2.00000
2016 0.43388 2.00000
2017 0.53203 2.00000
2018 0.62349 2.00000
2019 0.70711 2.00000
2020 0.78183 2.00000
2021 0.84672 2.00000
2022 0.90097 2.00000
2023 0.94388 2.00000
2024 0.97493 2.00000
2025 0.99371 2.00000
2026 -0.99371 2.01770
2027 -0.97493 2.01770
2028 -0.94388 2.01770
2029 -0.90097 2.01770
2030 -0.84672 2.01770
2031 -0.78183 2.01770
2032 -0.70711 2.01770
2033 -0.62349 2.01770
2034 -0.53203 2.01770
2035 -0.43388 2.01770
2036 -0.33028 2.01770
2037 -0.22252 2.01770
2038 -0.11196 2.01770
2039 0.00000 2.01770
2040 0.11196 2.01770
2041 0.22252 2.01770
2042 0.33028 2.01770
2043 0.43388 2.01770
2044 0.53203 2.01770
2045 0.62349 2.01770
2046 0.70711 2.01770
2047 0.78183 2.01770
2048 0.84672 2.01770
2049 0.90097 2.01770
2050 0.94388 2.01770
2051 0.97493 2.01770
2052 0.99371 2.01770
2053 -0.99371 2.03541
2054 -0.97493 2.03541
2055 -0.94388 2.03541
2056 -0.90097 2.03541
2057 -0.84672 2.03541
2058 -0.78183 2.03541
2059 -0.70711 2.03541
2060 -0.62349 2.03541
2061 -0.53203 2.03541
2062 -0.43388 2.03541
2063 -0.33028 2.03541
2064 -0.22252 2.03541
2065 -0.11196 2.03541
2066 0.00000 2.03541
2067 0.11196 2.03541
2068 0.22252 2.03541
2069 0.33028 2.03541
2070 0.43388 2.03541
2071 0.53203 2.03541
2072 0.62349 2.03541
2073 0.70711 2.03541
2074 0.78183 2.03541
2075 0.84672 2.03541
2076 0.90097 2.03541
2077 0.94388 2.03541
2078 0.97493 2.03541
2079 0.99371 2.03541
2080 -0.99371 2.15044
2081 -0.97493 2.15044
2082 -0.94388 2.15044
2083 -0.90097 2.15044
2084 -0.84672 2.15044
2085 -0.78183 2.15044
2086 -0.70711 2.15044
2087 -0.62349 2.15044
2088 -0.53203 2.15044
2089 -0.43388 2.15044
2090 -0.33028 2.15044
2091 -0.22252 2.15044
2092 -0.11196 2.15044
2093 0.00000 2.15044
2094 0.11196 2.15044
2095 0.22252 2.15044
2096 0.33028 2.15044
2097 0.43388 2.15044
2098 0.53203 2.15044
2099 0.62349 2.15044
2100 0.70711 2.15044
2101 0.78183 2.15044
2102 0.84672 2.15044
2103 0.90097 2.15044
2104 0.94388 2.15044
2105 0.97493 2.15044
2106 0.99371 2.15044
2107 -0.99371 2.16815
2108 -0.97493 2.16815
2109 -0.94388 2.16815
2110 -0.90097 2.16815
2111 -0.84672 2.16815
2112 -0.78183 2.16815
2113 -0.70711 2.16815
2114 -0.62349 2.16815
2115 -0.53203 2.16815
2116 -0.43388 2.16815
2117 -0.33028 2.16815
2118 -0.22252 2.16815
2119 -0.11196 2.16815
2120 0.00000 2.16815
2121 0.11196 2.16815
2122 0.22252 2.16815
2123 0.33028 2.16815
2124 0.43388 2.16815
2125 0.53203 2.16815
2126 0.62349 2.16815
2127 0.70711 2.16815
2128 0.78183 2.16815
2129 0.84672 2.16815
2130 0.90097 2.16815
2131 0.94388 2.16815
2132 0.97493 2.16815
2133 0.99371 2.16815
2134 -0.99371 2.30089
2135 -0.97493 2.30089
2136 -0.94388 2.30089
2137 -0.90097 2.30089
2138 -0.84672 2.30089
2139 -0.78183 2.30089
2140 -0.70711 2.30089
2141 -0.62349 2.30089
2142 -0.53203 2.30089
2143 -0.43388 2.30089
2144 -0.33028 2.30089
2145 -0.22252 2.30089
2146 -0.11196 2.30089
2147 0.00000 2.30089
2148 0.11196 2.30089
2149 0.22252 2.30089
2150 0.33028 2.30089
2151 0.43388 2.30089
2152 0.53203 2.30089
2153 0.62349 2.30089
2154 0.70711 2.30089
2155 0.78183 2.30089
2156 0.84672 2.30089
2157 0.90097 2.30089
2158 0.94388 2.30089
2159 0.97493 2.30089
2160 0.99371 2.30089
2161 -0.99371 2.31859
2162 -0.97493 2.31859
2163 -0.94388 2.31859
2164 -0.90097 2.31859
2165 -0.84672 2.31859
2166 -0.78183 2.31859
2167 -0.70711 2.31859
2168 -0.62349 2.31859
2169 -0.53203 2.31859
2170 -0.43388 2.31859
2171 -0.33028 2.31859
2172 -0.22252 2.31859
2173 -0.11196 2.31859
2174 0.00000 2.31859
2175 0.11196 2.31859
2176 0.22252 2.31859
2177 0.33028 2.31859
2178 0.43388 2.31859
2179 0.53203 2.31859
2180 0.62349 2.31859
2181 0.70711 2.31859
2182 0.78183 2.31859
2183 0.84672 2.31859
2184 0.90097 2.31859
2185 0.94388 2.31859
2186 0.97493 2.31859
2187 0.99371 2.31859
2188 -0.99371 2.43363
2189 -0.97493 2.43363
2190 -0.94388 2.43363
2191 -0.90097 2.43363
2192 -0.84672 2.43363
2193 -0.78183 2.43363
2194 -0.70711 2.43363
2195 -0.62349 2.43363
2196 -0.53203 2.43363
2197 -0.43388 2.43363
2198 -0.33028 2.43363
2199 -0.22252 2.43363
2200 -0.11196 2.43363
2201 0.00000 2.43363
2202 0.11196 2.43363
2203 0.22252 2.43363
2204 0.33028 2.43363
2205 0.43388 2.43363
2206 0.53203 2.43363
2207 0.62349 2.43363
2208 0.70711 2.43363
2209 0.78183 2.43363
2210 0.84672 2.43363
2211 0.90097 2.43363
2212 0.94388 2.43363
2213 0.97493 2.43363
2214 0.99371 2.43363
2215 -0.99371 2.45133
2216 -0.97493 2.45133
2217 -0.94388 2.45133
2218 -0.90097 2.45133
2219 -0.84672 2.45133
2220 -0.78183 2.45133
2221 -0.70711 2.45133
2222 -0.62349 2.45133
2223 -0.53203 2.45133
2224 -0.43388 2.45133
2225 -0.33028 2.45133
2226 -0.22252 2.45133
2227 -0.11196 2.45133
2228 0.00000 2.45133
2229 0.11196 2.45133
2230 0.22252 2.45133
2231 0.33028 2.45133
2232 0.43388 2.45133
2233 0.53203 2.45133
2234 0.62349 2.45133
2235 0.70711 2.45133
2236 0.78183 2.45133
2237 0.84672 2.45133
2238 0.90097 2.45133
2239 0.94388 2.45133
2240 0.97493 2.45133
2241 0.99371 2.45133
2242 -0.99371 2.58407
2243 -0.97493 2.58407
2244 -0.94388 2.58407
2245 -0.90097 2.58407
2246 -0.84672 2.58407
2247 -0.78183 2.58407
2248 -0.70711 2.58407
2249 -0.62349 2.58407
2250 -0.53203 2.58407
2251 -0.43388 2.58407
2252 -0.33028 2.58407
2253 -0.22252 2.58407
2254 -0.11196 2.58407
2255 0.00000 2.58407
2256 0.11196 2.58407
2257 0.22252 2.58407
2258 0.33028 2.58407
2259 0.43388 2.58407
2260 0.53203 2.58407
2261 0.62349 2.58407
2262 0.70711 2.58407
2263 0.78183 2.58407
2264 0.84672 2.58407
2265 0.90097 2.58407
2266 0.94388 2.58407
2267 0.97493 2.58407
2268 0.99371 2.58407
2269 -0.99371 2.60178
2270 -0.97493 2.60178
2271 -0.94388 2.60178
2272 -0.90097 2.60178
2273 -0.84672 2.60178
2274 -0.78183 2.60178
2275 -0.70711 2.60178
2276 -0.62349 2.60178
2277 -0.53203 2.60178
2278 -0.43388 2.60178
2279 -0.33028 2.60178
2280 -0.22252 2.60178
2281 -0.11196 2.60178
2282 0.00000 2.60178
2283 0.11196 2.60178
2284 0.22252 2.60178
2285 0.33028 2.60178
2286 0.43388 2.60178
2287 0.53203 2.60178
2288 0.62349 2.60178
2289 0.70711 2.60178
2290 0.78183 2.60178
2291 0.84672 2.60178
2292 0.90097 2.60178
2293 0.94388 2.60178
2294 0.97493 2.60178
2295 0.99371 2.60178
2296 -0.99371 2.71681
2297 -0.97493 2.71681
2298 -0.94388 2.71681
2299 -0.90097 2.71681
2300 -0.84672 2.71681
2301 -0.78183 2.71681
2302 -0.70711 2.71681
2303 -0.62349 2.71681
2304 -0.53203 2.71681
2305 -0.43388 2.71681
2306 -0.33028 2.71681
2307 -0.22252 2.71681
2308 -0.11196 2.71681
2309 0.00000 2.71681
2310 0.11196 2.71681
2311 0.22252 2.71681
2312 0.33028 2.71681
2313 0.43388 2.71681
2314 0.53203 2.71681
2315 0.62349 2.71681
2316 0.70711 2.71681
2317 0.78183 2.71681
2318 0.84672 2.71681
2319 0.90097 2.71681
2320 0.94388 2.71681
2321 0.97493 2.71681
2322 0.99371 2.71681
2323 -0.99371 2.73452
2324 -0.97493 2.73452
2325 -0.94388 2.73452
2326 -0.90097 2.73452
2327 -0.84672 2.73452
2328 -0.78183 2.73452
2329 -0.70711 2.73452
2330 -0.62349 2.73452
2331 -0.53203 2.73452
2332 -0.43388 2.73452
2333 -0.33028 2.73452
2334 -0.22252 2.73452
2335 -0.11196 2.73452
2336 0.00000 2.73452
2337 0.11196 2.73452
2338 0.22252 2.73452
2339 0.33028 2.73452
2340 0.43388 2.73452
2341 0.53203 2.73452
2342 0.62349 2.73452
2343 0.70711 2.73452
2344 0.78183 2.73452
2345 0.84672 2.73452
2346 0.90097 2.73452
2347 0.94388 2.73452
2348 0.97493 2.73452
2349 0.99371 2.73452
2350 -0.99371 2.86726
2351 -0.97493 2.86726
2352 -0.94388 2.86726
2353 -0.90097 2.86726
2354 -0.84672 2.86726
2355 -0.78183 2.86726
2356 -0.70711 2.86726
2357 -0.62349 2.86726
2358 -0.53203 2.86726
2359 -0.43388 2.86726
2360 -0.33028 2.86726
2361 -0.22252 2.86726
2362 -0.11196 2.86726
2363 0.00000 2.86726
2364 0.11196 2.86726
2365 0.22252 2.86726
2366 0.33028 2.86726
2367 0.43388 2.86726
2368 0.53203 2.86726
2369 0.62349 2.86726
2370 0.70711 2.86726
2371 0.78183 2.86726
2372 0.84672 2.86726
2373 0.90097 2.86726
2374 0.94388 2.86726
2375 0.97493 2.86726
2376 0.99371 2.86726
2377 -0.99371 2.88496
2378 -0.97493 2.88496
2379 -0.94388 2.88496
2380 -0.90097 2.88496
2381 -0.84672 2.88496
2382 -0.78183 2.88496
2383 -0.70711 2.88496
2384 -0.62349 2.88496
2385 -0.53203 2.88496
2386 -0.43388 2.88496
2387 -0.33028 2.88496
2388 -0.22252 2.88496
2389 -0.11196 2.88496
2390 0.00000 2.88496
2391 0.11196 2.88496
2392 0.22252 2.88496
2393 0.33028 2.88496
2394 0.43388 2.88496
2395 0.53203 2.88496
2396 0.62349 2.88496
2397 0.70711 2.88496
2398 0.78183 2.88496
2399 0.84672 2.88496
2400 0.90097 2.88496
2401 0.94388 2.88496
2402 0.97493 2.88496
2403 0.99371 2.88496
2404 -0.99371 3.00000
2405 -0.97493 3.00000
2406 -0.94388 3.00000
2407 -0.90097 3.00000
2408 -0.84672 3.00000
2409 -0.78183 3.00000
2410 -0.70711 3.00000
2411 -0.62349 3.00000
2412 -0.53203 3.00000
2413 -0.43388 3.00000
2414 -0.33028 3.00000
2415 -0.22252 3.00000
2416 -0.11196 3.00000
2417 0.00000 3.00000
2418 0.11196 3.00000
2419 0.22252 3.00000
2420 0.33028 3.00000
2421 0.43388 3.00000
2422 0.53203 3.00000
2423 0.62349 3.00000
2424 0.70711 3.00000
2425 0.78183 3.00000
2426 0.84672 3.00000
2427 0.90097 3.00000
2428 0.94388 3.00000
2429 0.97493 3.00000
2430 0.99371 3.00000
2431 -0.99371 3.01770
2432 -0.97493 3.01770
2433 -0.94388 3.01770
2434 -0.90097 3.01770
2435 -0.84672 3.01770
2436 -0.78183 3.01770
2437 -0.70711 3.01770
2438 -0.62349 3.01770
2439 -0.53203 3.01770
2440 -0.43388 3.01770
2441 -0.33028 3.01770
2442 -0.22252 3.01770
2443 -0.11196 3.01770
2444 0.00000 3.01770
2445 0.11196 3.01770
2446 0.22252 3.01770
2447 0.33028 3.01770
2448 0.43388 3.01770
2449 0.53203 3.01770
2450 0.62349 3.01770
2451 0.70711 3.01770
2452 0.78183 3.01770
2453 0.84672 3.01770
2454 0.90097 3.01770
2455 0.94388 3.01770
2456 0.97493 3.01770
2457 0.99371 3.01770
Number of angular functions used for fitting = 11
Found RANK = 11 # Blm = 11
RMS Error at r = 0.00100 is 0.11621766E-11
RMS Error at r = 0.10000 is 0.17899484E-08
RMS Error at r = 0.20000 is 0.29506828E-08
RMS Error at r = 0.30000 is 0.28570669E-08
RMS Error at r = 0.40000 is 0.37611607E-08
RMS Error at r = 0.50000 is 0.53165168E-07
RMS Error at r = 0.60000 is 0.14925436E-06
RMS Error at r = 0.70000 is 0.18617952E-06
RMS Error at r = 0.80000 is 0.38222722E-06
RMS Error at r = 0.90000 is 0.89410147E-06
RMS Error at r = 1.00000 is 0.10417516E-05
RMS Error at r = 1.10000 is 0.84290291E-06
RMS Error at r = 1.20000 is 0.53438261E-06
RMS Error at r = 1.30000 is 0.14924379E-05
RMS Error at r = 1.40000 is 0.11762253E-05
RMS Error at r = 1.50000 is 0.10946502E-05
RMS Error at r = 1.60000 is 0.19212461E-05
RMS Error at r = 1.70000 is 0.21147036E-05
RMS Error at r = 1.80000 is 0.14756346E-05
RMS Error at r = 1.90000 is 0.10499257E-05
RMS Error at r = 2.00000 is 0.96036892E-06
RMS Error at r = 2.10000 is 0.54470860E-06
RMS Error at r = 2.20000 is 0.69969376E-06
RMS Error at r = 2.30000 is 0.23783056E-05
RMS Error at r = 2.40000 is 0.47314640E-05
RMS Error at r = 2.50000 is 0.77821346E-05
RMS Error at r = 2.60000 is 0.11365554E-04
RMS Error at r = 2.70000 is 0.15259999E-04
RMS Error at r = 2.80000 is 0.19525231E-04
RMS Error at r = 2.90000 is 0.24342618E-04
RMS Error at r = 3.00000 is 0.29256707E-04
RMS Error at r = 3.10000 is 0.33385214E-04
RMS Error at r = 3.20000 is 0.36353047E-04
RMS Error at r = 3.30000 is 0.38048904E-04
RMS Error at r = 3.40000 is 0.38218784E-04
RMS Error at r = 3.50000 is 0.36843854E-04
RMS Error at r = 3.60000 is 0.34342847E-04
RMS Error at r = 3.70000 is 0.31179311E-04
RMS Error at r = 3.80000 is 0.27674145E-04
RMS Error at r = 3.90000 is 0.24103820E-04
RMS Error at r = 4.00000 is 0.20705561E-04
RMS Error at r = 4.10000 is 0.17559856E-04
RMS Error at r = 4.20000 is 0.14691729E-04
RMS Error at r = 4.30000 is 0.12147529E-04
RMS Error at r = 4.40000 is 0.99229610E-05
RMS Error at r = 4.50000 is 0.79530084E-05
RMS Error at r = 4.60000 is 0.61927357E-05
RMS Error at r = 4.70000 is 0.46505534E-05
RMS Error at r = 4.80000 is 0.33751438E-05
RMS Error at r = 4.90000 is 0.24111284E-05
RMS Error at r = 5.00000 is 0.17466034E-05
RMS Error at r = 5.20000 is 0.10376215E-05
RMS Error at r = 5.40000 is 0.69986839E-06
RMS Error at r = 5.60000 is 0.51856296E-06
RMS Error at r = 5.80000 is 0.42433866E-06
RMS Error at r = 6.00000 is 0.35000948E-06
RMS Error at r = 6.20000 is 0.26390671E-06
RMS Error at r = 6.40000 is 0.19218874E-06
RMS Error at r = 6.60000 is 0.15105798E-06
RMS Error at r = 6.80000 is 0.14900996E-06
RMS Error at r = 7.00000 is 0.16904011E-06
RMS Error at r = 7.20000 is 0.18643278E-06
RMS Error at r = 7.40000 is 0.18635362E-06
RMS Error at r = 7.60000 is 0.16178782E-06
RMS Error at r = 7.80000 is 0.12161777E-06
RMS Error at r = 8.00000 is 0.81803876E-07
RMS Error at r = 8.20000 is 0.49905015E-07
RMS Error at r = 8.40000 is 0.28960224E-07
RMS Error at r = 8.60000 is 0.16310199E-07
RMS Error at r = 8.80000 is 0.99906000E-08
RMS Error at r = 9.00000 is 0.71610698E-08
RMS Error at r = 9.20000 is 0.57871217E-08
RMS Error at r = 9.40000 is 0.51706755E-08
RMS Error at r = 9.60000 is 0.49545979E-08
RMS Error at r = 9.80000 is 0.52787975E-08
RMS Error at r = 10.00000 is 0.46283261E-08
RMS Error at r = 10.25000 is 0.38984351E-08
RMS Error at r = 10.50000 is 0.37234893E-08
RMS Error at r = 10.75000 is 0.36221495E-08
RMS Error at r = 11.00000 is 0.32485886E-08
RMS Error at r = 11.25000 is 0.25101265E-08
RMS Error at r = 11.50000 is 0.20130254E-08
RMS Error at r = 11.75000 is 0.28116401E-08
RMS Error at r = 12.00000 is 0.24835977E-08
RMS Error at r = 12.25000 is 0.24368260E-08
RMS Error at r = 12.50000 is 0.21448937E-08
RMS Error at r = 12.75000 is 0.19159328E-08
RMS Error at r = 13.00000 is 0.19360433E-08
RMS Error at r = 13.25000 is 0.26769573E-08
RMS Error at r = 13.50000 is 0.23490713E-08
RMS Error at r = 13.75000 is 0.22606276E-08
RMS Error at r = 14.00000 is 0.18746574E-08
RMS Error at r = 14.25000 is 0.17485453E-08
RMS Error at r = 14.50000 is 0.18535239E-08
RMS Error at r = 14.75000 is 0.25788437E-08
RMS Error at r = 15.00000 is 0.22501279E-08
RMS Error at r = 15.25000 is 0.22255536E-08
RMS Error at r = 15.50000 is 0.20568104E-08
RMS Error at r = 15.75000 is 0.18964161E-08
RMS Error at r = 16.00000 is 0.18024515E-08
RMS Error at r = 16.25000 is 0.18056840E-08
RMS Error at r = 16.50000 is 0.28270675E-08
RMS Error at r = 16.75000 is 0.24373427E-08
RMS Error at r = 17.00000 is 0.22970163E-08
RMS Error at r = 17.25000 is 0.21347990E-08
RMS Error at r = 17.50000 is 0.19776966E-08
RMS Error at r = 17.75000 is 0.18877192E-08
RMS Error at r = 18.00000 is 0.19332837E-08
RMS Error at r = 18.25000 is 0.17196117E-08
RMS Error at r = 18.50000 is 0.25842656E-08
RMS Error at r = 18.75000 is 0.24516403E-08
RMS Error at r = 19.00000 is 0.23244598E-08
RMS Error at r = 19.25000 is 0.21305021E-08
RMS Error at r = 19.50000 is 0.20229199E-08
RMS Error at r = 19.75000 is 0.19408118E-08
RMS Error at r = 20.00000 is 0.19967211E-08
-- Fit for full symmetry angular functions --
1 2 3 4 5 6 7
0.00100 -0.53074735E+00 -0.88456171E-07 0.15312890E-11 -0.87943125E-11 0.54546229E-11 0.41633363E-16 0.23844537E-11 0.277555
0.10000 -0.53067482E+00 -0.93269088E-03 0.58754013E-06 0.84563716E-08 -0.24190301E-08 0.55511151E-16 0.65067509E-08 0.416333
0.20000 -0.53046913E+00 -0.36699065E-02 0.10470742E-04 -0.14874061E-06 0.18858084E-07 0.69388939E-16 0.21742182E-07 0.138777
0.30000 -0.53014566E+00 -0.80433647E-02 0.55846736E-04 -0.15274623E-05 -0.25631724E-06 0.55511151E-16 -0.18705437E-07 0.000000
0.40000 -0.52969646E+00 -0.13814422E-01 0.17213565E-03 -0.59623834E-05 -0.14642276E-05 0.55511151E-16 -0.27185373E-06 0.000000
0.50000 -0.52909502E+00 -0.20710950E-01 0.39627442E-03 -0.13196401E-04 -0.41006455E-05 0.97144515E-16 -0.36055273E-06 0.277555
0.60000 -0.52830185E+00 -0.28450604E-01 0.76745092E-03 -0.15254029E-04 -0.10235876E-04 0.41633363E-16 -0.54693513E-06 0.277555
0.70000 -0.52726432E+00 -0.36742662E-01 0.13184210E-02 0.32353392E-05 -0.22175241E-04 0.69388939E-16 -0.12688180E-05 0.277555
0.80000 -0.52590597E+00 -0.45278984E-01 0.20686285E-02 0.64931258E-04 -0.35747994E-04 0.97144515E-16 -0.11934929E-05 0.277555
0.90000 -0.52411788E+00 -0.53746021E-01 0.30096196E-02 0.18533292E-03 -0.45937354E-04 0.97144515E-16 -0.22140042E-05 0.277555
1.00000 -0.52175910E+00 -0.61843416E-01 0.41037042E-02 0.36536183E-03 -0.48472617E-04 0.27755576E-16 -0.58344661E-05 0.138777
1.10000 -0.51866433E+00 -0.69290486E-01 0.53020684E-02 0.59813535E-03 -0.38393614E-04 0.13877788E-16 -0.10083288E-04 0.346944
1.20000 -0.51466614E+00 -0.75842809E-01 0.65462139E-02 0.86125580E-03 -0.25351596E-04 0.27755576E-16 -0.24299264E-04 0.208166
1.30000 -0.50960759E+00 -0.81282613E-01 0.77997061E-02 0.11497076E-02 -0.97324100E-06 0.27755576E-16 -0.36117920E-04 0.416333
1.40000 -0.50336914E+00 -0.85447746E-01 0.90276580E-02 0.14509395E-02 0.34549361E-04 0.55511151E-16 -0.39319116E-04 0.138777
1.50000 -0.49588314E+00 -0.88243576E-01 0.10197493E-01 0.17459363E-02 0.72703697E-04 0.34694470E-16 -0.37053113E-04 0.208166
1.60000 -0.48714138E+00 -0.89648518E-01 0.11284473E-01 0.20197594E-02 0.10913105E-03 0.48572257E-16 -0.31092553E-04 0.138777
1.70000 -0.47720009E+00 -0.89722534E-01 0.12262470E-01 0.22560034E-02 0.13982977E-03 0.48572257E-16 -0.24105707E-04 0.346944
1.80000 -0.46617392E+00 -0.88600182E-01 0.13101298E-01 0.24363261E-02 0.15915073E-03 0.55511151E-16 -0.20618613E-04 0.416333
1.90000 -0.45422270E+00 -0.86473288E-01 0.13768624E-01 0.25447065E-02 0.16141964E-03 0.41633363E-16 -0.25097620E-04 0.346944
2.00000 -0.44153597E+00 -0.83572166E-01 0.14229418E-01 0.25690960E-02 0.14231857E-03 0.20816682E-16 -0.38869638E-04 0.277555
2.10000 -0.42831724E+00 -0.80147205E-01 0.14443902E-01 0.24981485E-02 0.96275191E-04 0.34694470E-16 -0.61507291E-04 0.416333
2.20000 -0.41476708E+00 -0.76447129E-01 0.14371446E-01 0.23201342E-02 0.15044497E-04 0.55511151E-16 -0.95119286E-04 0.208166
2.30000 -0.40106776E+00 -0.72697073E-01 0.13979917E-01 0.20267598E-02 -0.10805763E-03 0.27755576E-16 -0.14320657E-03 0.277555
2.40000 -0.38737327E+00 -0.69083888E-01 0.13251846E-01 0.16142140E-02 -0.27610340E-03 0.55511151E-16 -0.20890881E-03 0.277555
2.50000 -0.37380384E+00 -0.65747231E-01 0.12188582E-01 0.10838165E-02 -0.48850655E-03 0.34694470E-16 -0.29412999E-03 0.138777
2.60000 -0.36044413E+00 -0.62775170E-01 0.10813569E-01 0.44440740E-03 -0.74022737E-03 0.41633363E-16 -0.39792130E-03 0.208166
2.70000 -0.34734551E+00 -0.60206468E-01 0.91711648E-02 -0.28681147E-03 -0.10225522E-02 0.20816682E-16 -0.51642747E-03 0.277555
2.80000 -0.33453121E+00 -0.58037816E-01 0.73217629E-02 -0.10854694E-02 -0.13248366E-02 0.41633363E-16 -0.64430991E-03 0.138777
2.90000 -0.32200253E+00 -0.56232815E-01 0.53364975E-02 -0.19207992E-02 -0.16344597E-02 0.41633363E-16 -0.77493038E-03 0.693889
3.00000 -0.30974509E+00 -0.54731185E-01 0.32922674E-02 -0.27564583E-02 -0.19355574E-02 0.27755576E-16 -0.89923444E-03 0.138777
3.10000 -0.29773574E+00 -0.53459661E-01 0.12644394E-02 -0.35551640E-02 -0.22111687E-02 0.48572257E-16 -0.10074951E-02 0.277555
3.20000 -0.28594897E+00 -0.52342811E-01 -0.68076271E-03 -0.42851190E-02 -0.24476058E-02 0.20816682E-16 -0.10928831E-02 0.208166
3.30000 -0.27436110E+00 -0.51309559E-01 -0.24890949E-02 -0.49220742E-02 -0.26352067E-02 0.69388939E-17 -0.11513474E-02 0.208166
3.40000 -0.26295295E+00 -0.50297350E-01 -0.41189400E-02 -0.54494488E-02 -0.27679498E-02 0.41633363E-16 -0.11807748E-02 0.173472
3.50000 -0.25171191E+00 -0.49255862E-01 -0.55424030E-02 -0.58593202E-02 -0.28445416E-02 0.27755576E-16 -0.11818296E-02 0.104083
3.60000 -0.24063281E+00 -0.48148695E-01 -0.67450012E-02 -0.61520361E-02 -0.28683891E-02 0.17347235E-16 -0.11580534E-02 0.693889
3.70000 -0.22971729E+00 -0.46952501E-01 -0.77231827E-02 -0.63337718E-02 -0.28456455E-02 0.13877788E-16 -0.11142417E-02 0.000000
3.80000 -0.21897268E+00 -0.45655143E-01 -0.84817168E-02 -0.64142316E-02 -0.27835450E-02 0.17347235E-16 -0.10552585E-02 0.000000
3.90000 -0.20841080E+00 -0.44254030E-01 -0.90318038E-02 -0.64053813E-02 -0.26898666E-02 0.13877788E-16 -0.98593034E-03 0.173472
4.00000 -0.19804673E+00 -0.42754141E-01 -0.93893183E-02 -0.63203284E-02 -0.25723261E-02 0.69388939E-17 -0.91077118E-03 0.138777
4.10000 -0.18789757E+00 -0.41165940E-01 -0.95729553E-02 -0.61720679E-02 -0.24378972E-02 0.13877788E-16 -0.83354975E-03 0.000000
4.20000 -0.17798142E+00 -0.39503691E-01 -0.96030377E-02 -0.59728034E-02 -0.22925815E-02 0.17347235E-16 -0.75725988E-03 0.104083
4.30000 -0.16831664E+00 -0.37784082E-01 -0.95006546E-02 -0.57337371E-02 -0.21414261E-02 0.13877788E-16 -0.68416547E-03 0.693889
4.40000 -0.15892111E+00 -0.36024966E-01 -0.92869019E-02 -0.54647396E-02 -0.19884048E-02 0.10408341E-16 -0.61572069E-03 0.138777
4.50000 -0.14981167E+00 -0.34244280E-01 -0.89822687E-02 -0.51742818E-02 -0.18364748E-02 0.17347235E-16 -0.55262568E-03 0.693889
4.60000 -0.14100375E+00 -0.32459261E-01 -0.86062394E-02 -0.48695806E-02 -0.16878663E-02 0.13877788E-16 -0.49512845E-03 0.138777
4.70000 -0.13251097E+00 -0.30685846E-01 -0.81769640E-02 -0.45568005E-02 -0.15442286E-02 0.13877788E-16 -0.44316643E-03 0.520417
4.80000 -0.12434496E+00 -0.28938212E-01 -0.77109513E-02 -0.42411298E-02 -0.14067269E-02 0.69388939E-17 -0.39648259E-03 0.346944
4.90000 -0.11651518E+00 -0.27228524E-01 -0.72228217E-02 -0.39268748E-02 -0.12760897E-02 0.86736174E-17 -0.35465186E-03 0.346944
5.00000 -0.10902882E+00 -0.25566871E-01 -0.67252233E-02 -0.36176466E-02 -0.11526679E-02 0.15612511E-16 -0.31715845E-03 0.520417
5.20000 -0.95104046E-01 -0.22418095E-01 -0.57424504E-02 -0.30258779E-02 -0.92797865E-03 0.13877788E-16 -0.25318890E-03 0.346944
5.40000 -0.82583798E-01 -0.19534955E-01 -0.48254952E-02 -0.24847654E-02 -0.73265424E-03 0.69388939E-17 -0.20147009E-03 0.520417
5.60000 -0.71447094E-01 -0.16936094E-01 -0.40096261E-02 -0.20067053E-02 -0.56571723E-03 0.52041704E-17 -0.15954596E-03 0.520417
5.80000 -0.61641763E-01 -0.14622275E-01 -0.33079001E-02 -0.15976817E-02 -0.42543507E-03 0.43368087E-17 -0.12519277E-03 0.346944
6.00000 -0.53089492E-01 -0.12583041E-01 -0.27184065E-02 -0.12580782E-02 -0.31011600E-03 0.52041704E-17 -0.96454576E-04 0.867361
6.20000 -0.45692155E-01 -0.10801718E-01 -0.22308032E-02 -0.98377072E-03 -0.21814789E-03 0.34694470E-17 -0.71964654E-04 0.173472
6.40000 -0.39338860E-01 -0.92581986E-02 -0.18312167E-02 -0.76726284E-03 -0.14765444E-03 0.34694470E-17 -0.51041741E-04 0.346944
6.60000 -0.33912919E-01 -0.79304739E-02 -0.15052483E-02 -0.59921239E-03 -0.96254032E-04 0.43368087E-17 -0.33645662E-04 0.867361
6.80000 -0.29298167E-01 -0.67955758E-02 -0.12396922E-02 -0.46994470E-03 -0.60907918E-04 0.34694470E-17 -0.19971129E-04 0.130104
7.00000 -0.25383915E-01 -0.58305487E-02 -0.10231991E-02 -0.37066605E-03 -0.38171718E-04 0.26020852E-17 -0.10066175E-04 0.867361
7.20000 -0.22068304E-01 -0.50132894E-02 -0.84641457E-03 -0.29405923E-03 -0.24521049E-04 0.34694470E-17 -0.36414662E-05 0.867361
7.40000 -0.19260076E-01 -0.43231959E-02 -0.70177059E-03 -0.23449471E-03 -0.16823543E-04 0.17347235E-17 -0.50020750E-07 0.867361
7.60000 -0.16879157E-01 -0.37415359E-02 -0.58324378E-03 -0.18776386E-03 -0.12626818E-04 0.86736174E-18 0.15210314E-05 0.130104
7.80000 -0.14856411E-01 -0.32516295E-02 -0.48605780E-03 -0.15087462E-03 -0.10246534E-04 0.19515639E-17 0.18940103E-05 0.108420
8.00000 -0.13132957E-01 -0.28388095E-02 -0.40635396E-03 -0.12163790E-03 -0.86958191E-05 0.19515639E-17 0.16780987E-05 0.108420
8.20000 -0.11659179E-01 -0.24903276E-02 -0.34097083E-03 -0.98452612E-04 -0.75000928E-05 0.10842022E-17 0.12643988E-05 0.433680
8.40000 -0.10393695E-01 -0.21952803E-02 -0.28727495E-03 -0.80066611E-04 -0.64618172E-05 0.21684043E-17 0.83902321E-06 0.000000
8.60000 -0.93022191E-02 -0.19444265E-02 -0.24307609E-03 -0.65461377E-04 -0.55363658E-05 0.65052130E-18 0.47822900E-06 0.000000
8.80000 -0.83565126E-02 -0.17300835E-02 -0.20655628E-03 -0.53816970E-04 -0.47010818E-05 0.10842022E-17 0.20315135E-06 0.650521
9.00000 -0.75333515E-02 -0.15459176E-02 -0.17626902E-03 -0.44479161E-04 -0.39500015E-05 0.65052130E-18 0.13205556E-07 0.650521
9.20000 -0.68136820E-02 -0.13867761E-02 -0.15105356E-03 -0.36938950E-04 -0.32879972E-05 0.75894152E-18 -0.11130982E-06 0.325260
9.40000 -0.61818075E-02 -0.12484706E-02 -0.12998657E-03 -0.30812935E-04 -0.27124094E-05 0.54210109E-18 -0.18404615E-06 0.108420
9.60000 -0.56247820E-02 -0.11276128E-02 -0.11233132E-03 -0.25805390E-04 -0.22238180E-05 0.43368087E-18 -0.21627441E-06 0.325260
9.80000 -0.51318719E-02 -0.10214662E-02 -0.97479982E-04 -0.21697726E-04 -0.18112607E-05 0.10842022E-18 -0.22319537E-06 0.542101
10.00000 -0.46941065E-02 -0.92781303E-03 -0.84946226E-04 -0.18316042E-04 -0.14702913E-05 0.32526065E-18 -0.21146547E-06 0.650521
10.25000 -0.42131342E-02 -0.82560394E-03 -0.71921153E-04 -0.14895423E-04 -0.11345807E-05 0.54210109E-18 -0.18909958E-06 0.542101
10.50000 -0.37945605E-02 -0.73728742E-03 -0.61247901E-04 -0.12179833E-04 -0.88036650E-06 0.54210109E-19 -0.16260879E-06 0.271050
10.75000 -0.34285506E-02 -0.66061206E-03 -0.52434136E-04 -0.10004385E-04 -0.69012337E-06 0.21684043E-18 -0.13375837E-06 0.216840
11.00000 -0.31070737E-02 -0.59376996E-03 -0.45095694E-04 -0.82574126E-05 -0.54401402E-06 0.27105054E-18 -0.10551687E-06 0.542101
11.25000 -0.28235165E-02 -0.53528708E-03 -0.38944762E-04 -0.68415094E-05 -0.42962001E-06 0.27105054E-18 -0.81599368E-07 0.162630
11.50000 -0.25724265E-02 -0.48393860E-03 -0.33751845E-04 -0.56874507E-05 -0.34445550E-06 0.10842022E-18 -0.63751946E-07 0.108420
11.75000 -0.23492694E-02 -0.43870764E-03 -0.29347510E-04 -0.47431644E-05 -0.27511091E-06 0.21684043E-18 -0.47698336E-07 0.162630
12.00000 -0.21502796E-02 -0.39873499E-03 -0.25595621E-04 -0.39595127E-05 -0.22209116E-06 0.21684043E-18 -0.35010488E-07 0.162630
12.25000 -0.19722939E-02 -0.36329349E-03 -0.22388872E-04 -0.33220715E-05 -0.18010913E-06 0.27105054E-18 -0.24982087E-07 0.813151
12.50000 -0.18126321E-02 -0.33177699E-03 -0.19641145E-04 -0.27952781E-05 -0.14314590E-06 0.21684043E-18 -0.17035451E-07 0.000000
12.75000 -0.16690270E-02 -0.30366640E-03 -0.17275878E-04 -0.23598620E-05 -0.11723959E-06 0.81315163E-19 -0.13148795E-07 0.271050
13.00000 -0.15395365E-02 -0.27852319E-03 -0.15239673E-04 -0.19976897E-05 -0.95901893E-07 0.13552527E-18 -0.75786372E-08 0.542101
13.25000 -0.14225093E-02 -0.25597543E-03 -0.13472455E-04 -0.16975070E-05 -0.74996531E-07 0.13552527E-18 -0.49118036E-08 0.108420
13.50000 -0.13165070E-02 -0.23570389E-03 -0.11946415E-04 -0.14430138E-05 -0.63932868E-07 0.16263033E-18 -0.34460699E-08 0.135525
13.75000 -0.12202971E-02 -0.21742549E-03 -0.10620477E-04 -0.12371569E-05 -0.51845057E-07 0.54210109E-19 -0.37493388E-09 0.813151
14.00000 -0.11328001E-02 -0.20091282E-03 -0.94611040E-05 -0.10632270E-05 -0.44370532E-07 0.13552527E-18 -0.12098205E-08 0.813151
14.25000 -0.10530763E-02 -0.18596260E-03 -0.84486602E-05 -0.91559205E-06 -0.37115921E-07 0.13552527E-18 -0.50143538E-09 0.542101
14.50000 -0.98029520E-03 -0.17239575E-03 -0.75636976E-05 -0.79014121E-06 -0.32068554E-07 0.13552527E-18 0.17243728E-08 0.542101
14.75000 -0.91374623E-03 -0.16006316E-03 -0.67791882E-05 -0.68444576E-06 -0.24013824E-07 0.13552527E-18 0.18970667E-08 0.406575
15.00000 -0.85278771E-03 -0.14883163E-03 -0.60941759E-05 -0.58995100E-06 -0.23070829E-07 0.13552527E-18 0.15746748E-08 0.406575
15.25000 -0.79686894E-03 -0.13857603E-03 -0.54878012E-05 -0.51531374E-06 -0.21165030E-07 0.54210109E-19 0.23491863E-08 0.542101
15.50000 -0.74548895E-03 -0.12920041E-03 -0.49529844E-05 -0.45058513E-06 -0.16194099E-07 0.67762636E-19 0.33073370E-08 0.271050
15.75000 -0.69821042E-03 -0.12061326E-03 -0.44759034E-05 -0.39503254E-06 -0.15696457E-07 0.94867690E-19 0.19659090E-08 0.542101
16.00000 -0.65464351E-03 -0.11273621E-03 -0.40512278E-05 -0.34605215E-06 -0.14416007E-07 0.13552527E-19 0.51191498E-09 0.542101
16.25000 -0.61443588E-03 -0.10549940E-03 -0.36764976E-05 -0.30270178E-06 -0.12285426E-07 0.40657581E-19 0.35174081E-08 0.406575
16.50000 -0.57728579E-03 -0.98843786E-04 -0.33387283E-05 -0.26520002E-06 -0.80268024E-08 0.27105054E-19 0.88191690E-09 0.135525
16.75000 -0.54291441E-03 -0.92709956E-04 -0.30377633E-05 -0.23355092E-06 -0.11378095E-07 0.54210109E-19 0.34956515E-08 0.135525
17.00000 -0.51108153E-03 -0.87048135E-04 -0.27681250E-05 -0.20631004E-06 -0.10202805E-07 0.40657581E-19 0.33332188E-08 0.338813
17.25000 -0.48155725E-03 -0.81815398E-04 -0.25282604E-05 -0.18350755E-06 -0.70320712E-08 0.67762636E-19 0.41355911E-08 0.271050
17.50000 -0.45414471E-03 -0.76973053E-04 -0.23099132E-05 -0.16362231E-06 -0.80220910E-08 0.40657581E-19 0.26683367E-08 0.271050
17.75000 -0.42866398E-03 -0.72487156E-04 -0.21127020E-05 -0.14506073E-06 -0.79794089E-08 0.33881318E-19 0.10951075E-08 0.203287
18.00000 -0.40494976E-03 -0.68324847E-04 -0.19385910E-05 -0.12935470E-06 -0.41528881E-08 0.40657581E-19 0.14563157E-08 0.406575
18.25000 -0.38286077E-03 -0.64463537E-04 -0.17778469E-05 -0.11274053E-06 -0.51893155E-08 0.40657581E-19 0.49826098E-08 0.135525
18.50000 -0.36225892E-03 -0.60877962E-04 -0.16317019E-05 -0.10061409E-06 -0.39362055E-08 0.54210109E-19 0.32081352E-08 0.677626
18.75000 -0.34303252E-03 -0.57534935E-04 -0.15023589E-05 -0.89281270E-07 -0.70191720E-08 0.27105054E-19 0.37628098E-08 0.203287
19.00000 -0.32507283E-03 -0.54420817E-04 -0.13836360E-05 -0.79824373E-07 -0.65084892E-08 0.13552527E-19 0.35772922E-08 0.271050
19.25000 -0.30827460E-03 -0.51513556E-04 -0.12771445E-05 -0.73312996E-07 -0.57557062E-08 0.20328791E-19 0.30314192E-08 0.203287
19.50000 -0.29255389E-03 -0.48801982E-04 -0.11789413E-05 -0.65824029E-07 -0.53523436E-08 0.27105054E-19 0.28841716E-08 0.677626
19.75000 -0.27782514E-03 -0.46266352E-04 -0.10882125E-05 -0.58830042E-07 -0.57132880E-08 0.20328791E-19 0.12927451E-08 0.135525
20.00000 -0.26401191E-03 -0.43894145E-04 -0.10105217E-05 -0.54228819E-07 -0.27487257E-08 0.13552527E-19 0.17321349E-08 0.135525
9 10 11
0.00100 0.13530010E-11 0.83266727E-16 -0.63209993E-11
0.10000 -0.46741938E-08 0.62450045E-16 -0.14023060E-08
0.20000 -0.89631338E-08 0.48572257E-16 0.57023553E-08
0.30000 0.18353872E-07 0.69388939E-16 0.21748577E-07
0.40000 -0.95028739E-07 0.83266727E-16 -0.35733589E-07
0.50000 -0.52758870E-06 0.97144515E-16 -0.42470548E-06
0.60000 -0.16212466E-05 0.83266727E-16 -0.12854378E-05
0.70000 -0.27125665E-05 0.83266727E-16 -0.19303043E-05
0.80000 -0.20272037E-05 0.83266727E-16 -0.18747859E-05
0.90000 -0.46339941E-06 0.69388939E-16 -0.25521125E-05
1.00000 0.22202216E-05 0.62450045E-16 -0.21613270E-05
1.10000 0.76991827E-05 0.62450045E-16 0.33860079E-05
1.20000 0.36388834E-05 0.62450045E-16 0.81008630E-06
1.30000 -0.22116323E-05 0.83266727E-16 -0.57711873E-06
1.40000 -0.61789284E-05 0.55511151E-16 0.27220034E-05
1.50000 -0.11027573E-04 0.76327833E-16 0.50370612E-05
1.60000 -0.15795307E-04 0.76327833E-16 0.34698264E-05
1.70000 -0.18025708E-04 0.62450045E-16 -0.11703859E-05
1.80000 -0.17080887E-04 0.62450045E-16 -0.45634165E-05
1.90000 -0.16026695E-04 0.69388939E-16 -0.45932544E-05
2.00000 -0.18726385E-04 0.41633363E-16 -0.43654367E-05
2.10000 -0.26490921E-04 0.65919492E-16 -0.62603033E-05
2.20000 -0.40373901E-04 0.72858386E-16 -0.11309359E-04
2.30000 -0.61568141E-04 0.55511151E-16 -0.20611306E-04
2.40000 -0.90855082E-04 0.48572257E-16 -0.35050952E-04
2.50000 -0.12872512E-03 0.62450045E-16 -0.54877782E-04
2.60000 -0.17476658E-03 0.48572257E-16 -0.79287057E-04
2.70000 -0.22763476E-03 0.48572257E-16 -0.10719556E-03
2.80000 -0.28563032E-03 0.52041704E-16 -0.13827016E-03
2.90000 -0.34617835E-03 0.41633363E-16 -0.17208630E-03
3.00000 -0.40421833E-03 0.52041704E-16 -0.20564752E-03
3.10000 -0.45363898E-03 0.62450045E-16 -0.23443522E-03
3.20000 -0.49049964E-03 0.45102810E-16 -0.25585068E-03
3.30000 -0.51277277E-03 0.27755576E-16 -0.26865373E-03
3.40000 -0.51936268E-03 0.48572257E-16 -0.27172328E-03
3.50000 -0.51097425E-03 0.45102810E-16 -0.26526220E-03
3.60000 -0.49027009E-03 0.38163916E-16 -0.25128152E-03
3.70000 -0.46050815E-03 0.31225023E-16 -0.23216373E-03
3.80000 -0.42462495E-03 0.29490299E-16 -0.20982833E-03
3.90000 -0.38531660E-03 0.43368087E-16 -0.18599866E-03
4.00000 -0.34495889E-03 0.26020852E-16 -0.16219191E-03
4.10000 -0.30535395E-03 0.24286129E-16 -0.13943356E-03
4.20000 -0.26780212E-03 0.20816682E-16 -0.11836933E-03
4.30000 -0.23318698E-03 0.22551405E-16 -0.99527861E-04
4.40000 -0.20198462E-03 0.29490299E-16 -0.83154197E-04
4.50000 -0.17422522E-03 0.27755576E-16 -0.69163976E-04
4.60000 -0.14975993E-03 0.26020852E-16 -0.57366859E-04
4.70000 -0.12834311E-03 0.20816682E-16 -0.47664181E-04
4.80000 -0.10972170E-03 0.12143064E-16 -0.39893357E-04
4.90000 -0.93543063E-04 0.19081958E-16 -0.33806252E-04
5.00000 -0.79452129E-04 0.14745150E-16 -0.29054392E-04
5.20000 -0.56356299E-04 0.11275703E-16 -0.21957353E-04
5.40000 -0.39055562E-04 0.11275703E-16 -0.16305408E-04
5.60000 -0.27209366E-04 0.10408341E-16 -0.11655057E-04
5.80000 -0.20281990E-04 0.78062556E-17 -0.80991195E-05
6.00000 -0.16970004E-04 0.56378513E-17 -0.57078901E-05
6.20000 -0.15608666E-04 0.39031278E-17 -0.44043858E-05
6.40000 -0.14711656E-04 0.60715322E-17 -0.39351593E-05
6.60000 -0.13310091E-04 0.34694470E-17 -0.39134095E-05
6.80000 -0.11161952E-04 0.52041704E-17 -0.39287259E-05
7.00000 -0.85361659E-05 0.34694470E-17 -0.37292729E-05
7.20000 -0.59194039E-05 0.39031278E-17 -0.32283859E-05
7.40000 -0.37163926E-05 0.23852448E-17 -0.25130884E-05
7.60000 -0.21216467E-05 0.19515639E-17 -0.17706016E-05
7.80000 -0.11194629E-05 0.28189256E-17 -0.11269297E-05
8.00000 -0.56851747E-06 0.17347235E-17 -0.65891471E-06
8.20000 -0.30185200E-06 0.16263033E-17 -0.36460857E-06
8.40000 -0.18457986E-06 0.11926224E-17 -0.18778729E-06
8.60000 -0.13134520E-06 0.13010426E-17 -0.10157826E-06
8.80000 -0.11714716E-06 0.10842022E-17 -0.59584240E-07
9.00000 -0.11322859E-06 0.14094628E-17 -0.41205006E-07
9.20000 -0.11172329E-06 0.97578196E-18 -0.33093996E-07
9.40000 -0.11084978E-06 0.75894152E-18 -0.25413671E-07
9.60000 -0.10529539E-06 0.65052130E-18 -0.25855531E-07
9.80000 -0.98569500E-07 0.37947076E-18 -0.26041522E-07
10.00000 -0.88704816E-07 0.65052130E-18 -0.22216830E-07
10.25000 -0.76258839E-07 0.75894152E-18 -0.19426156E-07
10.50000 -0.66122525E-07 0.59631119E-18 -0.12064299E-07
10.75000 -0.55029550E-07 0.27105054E-18 -0.13824722E-07
11.00000 -0.41567704E-07 0.54210109E-18 -0.93690156E-08
11.25000 -0.34625489E-07 0.43368087E-18 -0.71179568E-08
11.50000 -0.26653649E-07 0.40657581E-18 -0.30598474E-08
11.75000 -0.23409898E-07 0.35236571E-18 -0.21777608E-08
12.00000 -0.16577700E-07 0.35236571E-18 -0.17333444E-08
12.25000 -0.10764053E-07 0.24394549E-18 -0.61843800E-09
12.50000 -0.99513730E-08 0.24394549E-18 -0.18803183E-09
12.75000 -0.74457690E-08 0.24394549E-18 0.22796571E-08
13.00000 -0.93768157E-08 0.17618285E-18 0.18245649E-08
13.25000 -0.71649673E-08 0.28460307E-18 0.11906054E-08
13.50000 -0.48145940E-08 0.20328791E-18 0.12793238E-08
13.75000 -0.43510723E-08 0.17618285E-18 0.13592046E-08
14.00000 -0.30708330E-08 0.20328791E-18 0.31981018E-08
14.25000 -0.26673864E-08 0.12197274E-18 0.30245137E-08
14.50000 -0.58953387E-08 0.17618285E-18 0.23223244E-08
14.75000 -0.46715394E-08 0.94867690E-19 0.15090299E-08
15.00000 -0.30128472E-08 0.13552527E-18 0.14725589E-08
15.25000 -0.92441749E-09 0.10164395E-18 0.16269049E-08
15.50000 -0.28353799E-08 0.81315163E-19 0.13854665E-08
15.75000 -0.23636231E-08 0.74538899E-19 0.33713867E-08
16.00000 -0.36431489E-08 0.10842022E-18 0.27345472E-08
16.25000 -0.63484373E-08 0.60986372E-19 0.34191008E-09
16.50000 -0.25816901E-08 0.11519648E-18 0.17633560E-08
16.75000 -0.95969515E-09 0.60986372E-19 0.18656377E-08
17.00000 -0.89972847E-09 0.88091427E-19 0.17592287E-08
17.25000 -0.28582164E-08 0.60986372E-19 0.15121044E-08
17.50000 -0.24212605E-08 0.67762636E-19 0.35076205E-08
17.75000 -0.37443683E-08 0.74538899E-19 0.28746692E-08
18.00000 -0.52497281E-08 0.67762636E-19 0.50490918E-09
18.25000 -0.51044856E-08 0.40657581E-19 0.17826298E-08
18.50000 -0.53279762E-08 0.50821977E-19 0.39551069E-08
18.75000 -0.99886112E-09 0.40657581E-19 0.19073691E-08
19.00000 -0.94659373E-09 0.37269450E-19 0.18085897E-08
19.25000 -0.26121685E-08 0.44045713E-19 0.37539937E-08
19.50000 -0.24812625E-08 0.30493186E-19 0.35651214E-08
19.75000 -0.38217793E-08 0.30493186E-19 0.29455736E-08
20.00000 -0.45096601E-08 0.37269450E-19 0.27659479E-08
Time Now = 3.2521 Delta time = 2.7057 End Vposfit
+ Data Record ScatContSym - 'SG'
+ Command ScatPos
+ 0.1 0.5 1.0
----------------------------------------------------------------------
ScatStab - Iterative exchange scattering program (rev. 04/25/2005)
----------------------------------------------------------------------
Unit for output of final k matrices (iukmat) = 60
Symmetry type of scattering solution (symtps) = SG 1
Form of the Green's operator used (iGrnType) = 0
Flag for dipole operator (DipoleFlag) = F
Maximum l for computed scattering solutions (LMaxK) = 6
Maximum number of iterations (itmax) = -1
Convergence criterion on change in rmsq k matrix (cutkdf) = 0.10000000E-05
Maximum l to include in potential (lpotct) = -1
No exchange flag = T
Runge Kutta factor used (RungeKuttaFac) = 4
Error estimate for integrals used in convergence test (EpsIntError) = 0.10000000E-07
General print flag (iprnfg) = 0
Number of integration regions (NIntRegionR) = 40
Factor for number of points in asymptotic region (HFacWaveAsym) = 10.0
Asymptotic cutoff (EpsAsym) = 0.10000000E-06
Asymptotic cutoff type (iAsymCond) = 1
Number of integration regions used = 65
Number of partial waves (np) = 11
Number of asymptotic solutions on the right (NAsymR) = 4
Number of asymptotic solutions on the left (NAsymL) = 4
First solution on left to compute is (NAsymLF) = 1
Last solution on left to compute is (NAsymLL) = 4
Maximum in the asymptotic region (lpasym) = 15
Number of partial waves in the asymptotic region (npasym) = 11
Number of orthogonality constraints (NOrthUse) = 0
Number of different asymptotic potentials = 3
Maximum number of asymptotic partial waves = 136
Changed sign of static potential for positron scattering
Found polarization potential
Maximum l used in usual function (lmax) = 15
Maximum m used in usual function (LMax) = 15
Maxamum l used in expanding static potential (lpotct) = 30
Maximum l used in exapnding the exchange potential (lmaxab) = 30
Higest l included in the expansion of the wave function (lnp) = 14
Higest l included in the K matrix (lna) = 6
Highest l used at large r (lpasym) = 15
Higest l used in the asymptotic potential (lpzb) = 30
Maximum L used in the homogeneous solution (LMaxHomo) = 15
Number of partial waves in the homogeneous solution (npHomo) = 11
Time Now = 3.2610 Delta time = 0.0089 Energy independent setup
Compute solution for E = 0.1000000000 eV
Charge on the molecule (zz) = 0.0
Assumed asymptotic polarization is 0.00000000E+00 au
stpote at the end of the grid
For potential 1
i = 1 lval = 0 1/r^n n = 4 StPot(RMax) = 0.27755576E-15 Asymp Coef = 0.24502409E-09 (eV Angs^(n))
i = 2 lval = 2 1/r^n n = 3 StPot(RMax) = -0.14104344E-18 Asymp Moment = 0.25635562E-15 (e Angs^(n-1))
i = 3 lval = 2 1/r^n n = 3 StPot(RMax) = 0.52826416E-03 Asymp Moment = -0.96015447E+00 (e Angs^(n-1))
i = 4 lval = 4 1/r^n n = 5 StPot(RMax) = 0.45621930E-21 Asymp Moment = -0.26883764E-15 (e Angs^(n-1))
i = 5 lval = 4 1/r^n n = 5 StPot(RMax) = -0.11482359E-20 Asymp Moment = 0.67662424E-15 (e Angs^(n-1))
i = 6 lval = 4 1/r^n n = 5 StPot(RMax) = 0.64566772E-05 Asymp Moment = -0.38047446E+01 (e Angs^(n-1))
For potential 2
For potential 3
i = 1 lvals = 4 6 stpote = -0.10210337E-03 second term = -0.10210337E-03
i = 2 lvals = 4 4 stpote = -0.49377139E-20 second term = 0.00000000E+00
i = 3 lvals = 4 6 stpote = -0.16975523E-04 second term = -0.16975523E-04
i = 4 lvals = 6 6 stpote = 0.45351280E-20 second term = 0.00000000E+00
i = 5 lvals = 6 6 stpote = -0.25576904E-20 second term = 0.00000000E+00
i = 6 lvals = 6 8 stpote = -0.24303593E-06 second term = -0.24303593E-06
Number of asymptotic regions = 66
Final point in integration = 0.10292273E+04 Angstroms
Time Now = 4.2246 Delta time = 0.9636 End SolveHomo
REAL PART - Final K matrix
ROW 1
0.15608276E+01-0.14327502E-01 0.59915329E-04-0.51878626E-09
ROW 2
-0.14327502E-01-0.17780041E-01-0.48866205E-02-0.16958206E-05
ROW 3
0.59915329E-04-0.48866205E-02-0.52213914E-02-0.19359465E-02
ROW 4
-0.51879008E-09-0.16958205E-05-0.19359465E-02-0.25477036E-02
eigenphases
-0.1959410E-01 -0.4943571E-02 -0.1138946E-02 0.1001035E+01
eigenphase sum 0.975358E+00 scattering length= -17.21774
eps+pi 0.411695E+01 eps+2*pi 0.725854E+01
MaxIter = 1 c.s. = 339.65519270 rmsk= 0.00079995 Abs eps 0.15608276E-05 Rel eps 0.00000000E+00
Time Now = 4.2251 Delta time = 0.0004 End ScatStab
----------------------------------------------------------------------
ScatStab - Iterative exchange scattering program (rev. 04/25/2005)
----------------------------------------------------------------------
Unit for output of final k matrices (iukmat) = 60
Symmetry type of scattering solution (symtps) = SG 1
Form of the Green's operator used (iGrnType) = 0
Flag for dipole operator (DipoleFlag) = F
Maximum l for computed scattering solutions (LMaxK) = 6
Maximum number of iterations (itmax) = -1
Convergence criterion on change in rmsq k matrix (cutkdf) = 0.10000000E-05
Maximum l to include in potential (lpotct) = -1
No exchange flag = T
Runge Kutta factor used (RungeKuttaFac) = 4
Error estimate for integrals used in convergence test (EpsIntError) = 0.10000000E-07
General print flag (iprnfg) = 0
Number of integration regions (NIntRegionR) = 40
Factor for number of points in asymptotic region (HFacWaveAsym) = 10.0
Asymptotic cutoff (EpsAsym) = 0.10000000E-06
Asymptotic cutoff type (iAsymCond) = 1
Number of integration regions used = 65
Number of partial waves (np) = 11
Number of asymptotic solutions on the right (NAsymR) = 4
Number of asymptotic solutions on the left (NAsymL) = 4
First solution on left to compute is (NAsymLF) = 1
Last solution on left to compute is (NAsymLL) = 4
Maximum in the asymptotic region (lpasym) = 15
Number of partial waves in the asymptotic region (npasym) = 11
Number of orthogonality constraints (NOrthUse) = 0
Number of different asymptotic potentials = 3
Maximum number of asymptotic partial waves = 136
Changed sign of static potential for positron scattering
Found polarization potential
Maximum l used in usual function (lmax) = 15
Maximum m used in usual function (LMax) = 15
Maxamum l used in expanding static potential (lpotct) = 30
Maximum l used in exapnding the exchange potential (lmaxab) = 30
Higest l included in the expansion of the wave function (lnp) = 14
Higest l included in the K matrix (lna) = 6
Highest l used at large r (lpasym) = 15
Higest l used in the asymptotic potential (lpzb) = 30
Maximum L used in the homogeneous solution (LMaxHomo) = 15
Number of partial waves in the homogeneous solution (npHomo) = 11
Time Now = 4.2304 Delta time = 0.0053 Energy independent setup
Compute solution for E = 0.5000000000 eV
Charge on the molecule (zz) = 0.0
Assumed asymptotic polarization is 0.00000000E+00 au
stpote at the end of the grid
For potential 1
i = 1 lval = 0 1/r^n n = 4 StPot(RMax) = 0.27755576E-15 Asymp Coef = 0.24502409E-09 (eV Angs^(n))
i = 2 lval = 2 1/r^n n = 3 StPot(RMax) = -0.14104344E-18 Asymp Moment = 0.25635562E-15 (e Angs^(n-1))
i = 3 lval = 2 1/r^n n = 3 StPot(RMax) = 0.52826416E-03 Asymp Moment = -0.96015447E+00 (e Angs^(n-1))
i = 4 lval = 4 1/r^n n = 5 StPot(RMax) = 0.45621930E-21 Asymp Moment = -0.26883764E-15 (e Angs^(n-1))
i = 5 lval = 4 1/r^n n = 5 StPot(RMax) = -0.11482359E-20 Asymp Moment = 0.67662424E-15 (e Angs^(n-1))
i = 6 lval = 4 1/r^n n = 5 StPot(RMax) = 0.64566772E-05 Asymp Moment = -0.38047446E+01 (e Angs^(n-1))
For potential 2
For potential 3
i = 1 lvals = 4 6 stpote = -0.10210337E-03 second term = -0.10210337E-03
i = 2 lvals = 4 4 stpote = -0.49377139E-20 second term = 0.00000000E+00
i = 3 lvals = 4 6 stpote = -0.16975523E-04 second term = -0.16975523E-04
i = 4 lvals = 6 6 stpote = 0.45351280E-20 second term = 0.00000000E+00
i = 5 lvals = 6 6 stpote = -0.25576904E-20 second term = 0.00000000E+00
i = 6 lvals = 6 8 stpote = -0.24303593E-06 second term = -0.24303593E-06
Number of asymptotic regions = 85
Final point in integration = 0.60215782E+03 Angstroms
Time Now = 5.3050 Delta time = 1.0746 End SolveHomo
REAL PART - Final K matrix
ROW 1
0.85943949E+00-0.28433604E-01 0.12624556E-03 0.19444872E-06
ROW 2
-0.28433604E-01-0.25564085E-01-0.10794967E-01-0.18493789E-04
ROW 3
0.12624556E-03-0.10794967E-01-0.94527724E-02-0.42710315E-02
ROW 4
0.19444871E-06-0.18493789E-04-0.42710315E-02-0.49545763E-02
eigenphases
-0.3182770E-01 -0.8360243E-02 -0.6853847E-03 0.7104735E+00
eigenphase sum 0.669600E+00 scattering length= -4.12936
eps+pi 0.381119E+01 eps+2*pi 0.695279E+01
MaxIter = 1 c.s. = 40.83373491 rmsk= 0.00163535 Abs eps 0.10000000E-05 Rel eps 0.00000000E+00
Time Now = 5.3052 Delta time = 0.0003 End ScatStab
----------------------------------------------------------------------
ScatStab - Iterative exchange scattering program (rev. 04/25/2005)
----------------------------------------------------------------------
Unit for output of final k matrices (iukmat) = 60
Symmetry type of scattering solution (symtps) = SG 1
Form of the Green's operator used (iGrnType) = 0
Flag for dipole operator (DipoleFlag) = F
Maximum l for computed scattering solutions (LMaxK) = 6
Maximum number of iterations (itmax) = -1
Convergence criterion on change in rmsq k matrix (cutkdf) = 0.10000000E-05
Maximum l to include in potential (lpotct) = -1
No exchange flag = T
Runge Kutta factor used (RungeKuttaFac) = 4
Error estimate for integrals used in convergence test (EpsIntError) = 0.10000000E-07
General print flag (iprnfg) = 0
Number of integration regions (NIntRegionR) = 40
Factor for number of points in asymptotic region (HFacWaveAsym) = 10.0
Asymptotic cutoff (EpsAsym) = 0.10000000E-06
Asymptotic cutoff type (iAsymCond) = 1
Number of integration regions used = 65
Number of partial waves (np) = 11
Number of asymptotic solutions on the right (NAsymR) = 4
Number of asymptotic solutions on the left (NAsymL) = 4
First solution on left to compute is (NAsymLF) = 1
Last solution on left to compute is (NAsymLL) = 4
Maximum in the asymptotic region (lpasym) = 15
Number of partial waves in the asymptotic region (npasym) = 11
Number of orthogonality constraints (NOrthUse) = 0
Number of different asymptotic potentials = 3
Maximum number of asymptotic partial waves = 136
Changed sign of static potential for positron scattering
Found polarization potential
Maximum l used in usual function (lmax) = 15
Maximum m used in usual function (LMax) = 15
Maxamum l used in expanding static potential (lpotct) = 30
Maximum l used in exapnding the exchange potential (lmaxab) = 30
Higest l included in the expansion of the wave function (lnp) = 14
Higest l included in the K matrix (lna) = 6
Highest l used at large r (lpasym) = 15
Higest l used in the asymptotic potential (lpzb) = 30
Maximum L used in the homogeneous solution (LMaxHomo) = 15
Number of partial waves in the homogeneous solution (npHomo) = 11
Time Now = 5.3103 Delta time = 0.0051 Energy independent setup
Compute solution for E = 1.0000000000 eV
Charge on the molecule (zz) = 0.0
Assumed asymptotic polarization is 0.00000000E+00 au
stpote at the end of the grid
For potential 1
i = 1 lval = 0 1/r^n n = 4 StPot(RMax) = 0.27755576E-15 Asymp Coef = 0.24502409E-09 (eV Angs^(n))
i = 2 lval = 2 1/r^n n = 3 StPot(RMax) = -0.14104344E-18 Asymp Moment = 0.25635562E-15 (e Angs^(n-1))
i = 3 lval = 2 1/r^n n = 3 StPot(RMax) = 0.52826416E-03 Asymp Moment = -0.96015447E+00 (e Angs^(n-1))
i = 4 lval = 4 1/r^n n = 5 StPot(RMax) = 0.45621930E-21 Asymp Moment = -0.26883764E-15 (e Angs^(n-1))
i = 5 lval = 4 1/r^n n = 5 StPot(RMax) = -0.11482359E-20 Asymp Moment = 0.67662424E-15 (e Angs^(n-1))
i = 6 lval = 4 1/r^n n = 5 StPot(RMax) = 0.64566772E-05 Asymp Moment = -0.38047446E+01 (e Angs^(n-1))
For potential 2
For potential 3
i = 1 lvals = 4 6 stpote = -0.10210337E-03 second term = -0.10210337E-03
i = 2 lvals = 4 4 stpote = -0.49377139E-20 second term = 0.00000000E+00
i = 3 lvals = 4 6 stpote = -0.16975523E-04 second term = -0.16975523E-04
i = 4 lvals = 6 6 stpote = 0.45351280E-20 second term = 0.00000000E+00
i = 5 lvals = 6 6 stpote = -0.25576904E-20 second term = 0.00000000E+00
i = 6 lvals = 6 8 stpote = -0.24303593E-06 second term = -0.24303593E-06
Number of asymptotic regions = 95
Final point in integration = 0.47806281E+03 Angstroms
Time Now = 6.3901 Delta time = 1.0797 End SolveHomo
REAL PART - Final K matrix
ROW 1
0.53467319E+00-0.45726263E-01 0.19728182E-04-0.20375398E-06
ROW 2
-0.45726263E-01-0.18151486E-01-0.15090834E-01-0.51072365E-04
ROW 3
0.19728182E-04-0.15090834E-01-0.10955217E-01-0.59921997E-02
ROW 4
-0.20375399E-06-0.51072365E-04-0.59921997E-02-0.62310645E-02
eigenphases
-0.3289186E-01 -0.8626888E-02 0.2433523E-02 0.4939190E+00
eigenphase sum 0.454834E+00 scattering length= -1.80383
eps+pi 0.359643E+01 eps+2*pi 0.673802E+01
MaxIter = 1 c.s. = 10.81622115 rmsk= 0.00216124 Abs eps 0.10000000E-05 Rel eps 0.00000000E+00
Time Now = 6.3903 Delta time = 0.0002 End ScatStab
+ Command TotalCrossSection
+
Using LMaxK 6
Continuum Symmetry SG -
E (eV) XS(angs^2) EPS(radians)
0.100000 339.655193 0.975358
0.500000 40.833735 0.669600
1.000000 10.816221 0.454834
Largest value of LMaxK found 6
Total Cross Sections
Energy Total Cross Section
0.10000 339.65519
0.50000 40.83373
1.00000 10.81622
Time Now = 6.3910 Delta time = 0.0007 Finalize