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******************************************************************************
PSI3 started on augustus.chemistry.gatech.edu at Wed Mar 12 18:37:22 2008
-----------------------------------------------------------------------
PSI3: An Open-Source Ab Initio Electronic Structure Package
Version 3.4 Alpha
T. D. Crawford, C. D. Sherrill, E. F. Valeev, J. T. Fermann, R. A. King,
M. L. Leininger, S. T. Brown, C. L. Janssen, E. T. Seidl, J. P. Kenny,
and W. D. Allen, J. Comput. Chem. 28, 1610-1616 (2007)
-----------------------------------------------------------------------
PSI3 will perform a UHF EOM_CC3 energy computation.
The following programs will be executed:
input
cints
cscf
transqt2
ccsort
ccenergy
cchbar
cceom
psiclean
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:22 2008
--------------
INPUT
--------------
LABEL = CC3 CH
SHOWNORM = 0
PUREAM = 1
PRINT_LVL = 1
Parsed basis sets from /theoryfs/ds/home/ashley/psi3/lib/pbasis.dat
Coordinates after reading z-matrices
1 2 3
1 0.0000000 0.0000000 0.0000000
2 0.0000000 0.0000000 2.1161152
-Geometry before Center-of-Mass shift (a.u.):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON 0.000000000000 0.000000000000 0.000000000000
HYDROGEN 0.000000000000 0.000000000000 2.116115162011
-Rotational constants (cm-1) :
A = ********** B = 14.45952 C = 14.45952
It is a linear molecule.
-Geometry after Center-of-Mass shift and reorientation (a.u.):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON 0.000000000000 0.000000000000 -0.163953145569
HYDROGEN 0.000000000000 0.000000000000 1.952162016442
-SYMMETRY INFORMATION:
Computational point group is C2v
Number of irr. rep. = 4
Number of atoms = 2
Number of unique atoms = 2
-BASIS SETS:
-Basis set on unique center 1:
( (S ( 5240.63530000 0.00093700)
( 782.20480000 0.00722800)
( 178.35083000 0.03634400)
( 50.81594200 0.13060000)
( 16.82356200 0.31893100) )
(S ( 6.17577600 0.43874200)
( 2.41804900 0.21497400) )
(S ( 0.51190000 1.00000000) )
(S ( 0.15659000 1.00000000) )
(S ( 0.04790000 1.00000000) )
(P ( 18.84180000 0.01388700)
( 4.15924000 0.08627900)
( 1.20671000 0.28874400)
( 0.38554000 0.49941100) )
(P ( 0.12194000 1.00000000) )
(P ( 0.03856800 1.00000000) )
(D ( 1.20670000 0.26285000)
( 0.38550000 0.80430000) )
(D ( 0.12190000 0.65350000)
( 0.03860000 0.86360000) )
)
-Basis set on unique center 2:
( (S ( 33.86501400 0.00606800)
( 5.09478800 0.04531600)
( 1.15878600 0.20284600)
( 0.32584000 0.50370900) )
(S ( 0.10274100 1.00000000) )
(S ( 0.03240000 1.00000000) )
(P ( 1.15880000 0.18844000)
( 0.32580000 0.88242000) )
(P ( 0.10270000 0.11780000)
( 0.03240000 0.00420000) )
)
-BASIS SET INFORMATION:
Total number of shells = 15
Number of primitives = 30
Number of AO = 35
Number of SO = 33
Irrep Number of SO
----- ------------
1 17
2 2
3 7
4 7
-Unique atoms in the canonical coordinate system (a.u.):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON 0.000000000000 0.000000000000 -0.163953145569
HYDROGEN 0.000000000000 0.000000000000 1.952162016442
-Geometry in the canonical coordinate system (a.u.):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON 0.000000000000 0.000000000000 -0.163953145569
HYDROGEN 0.000000000000 0.000000000000 1.952162016442
-Geometry in the canonical coordinate system (Angstrom):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON 0.000000000000 0.000000000000 -0.086760274537
HYDROGEN 0.000000000000 0.000000000000 1.033039725463
-Geometry in the reference coordinate system (a.u.):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON 0.000000000000 0.000000000000 -0.163953145569
HYDROGEN 0.000000000000 0.000000000000 1.952162016442
--------------------------------------------------------------------------
Nuclear Repulsion Energy (a.u.) = 2.835384438293
-The Interatomic Distances in angstroms:
1 2
1 0.0000000
2 1.1198000 0.0000000
Note: To print *all* bond angles, out-of-plane
angles, and torsion angles set print = 3
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:22 2008
user time = 0.03 seconds = 0.00 minutes
system time = 0.00 seconds = 0.00 minutes
total time = 0 seconds = 0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:22 2008
--------------------------------------------
CINTS: An integrals program written in C
Justin T. Fermann and Edward F. Valeev
--------------------------------------------
-OPTIONS:
Print level = 1
Integral tolerance = 1e-15
Max. memory to use = 2500000 double words
Number of threads = 1
LIBINT's real type length = 64 bit
-CALCULATION CONSTANTS:
Label = CC3 CH
Number of atoms = 2
Number of atomic orbitals = 35
Number of symmetry orbitals = 33
Maximum AM in the basis = 2
-SYMMETRY INFORMATION;
Computational point group = C2v
Number of irreps = 4
Wrote 34324 two-electron integrals to IWL file 33
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:22 2008
user time = 0.07 seconds = 0.00 minutes
system time = 0.00 seconds = 0.00 minutes
total time = 0 seconds = 0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:22 2008
------------------------------------------
CSCF3.0: An SCF program written in C
Written by too many people to mention here
------------------------------------------
Cannot check consistency of the multiplicity
and number of electrons, double check
your occupations
label = CC3 CH
wfn = EOM_CC3
reference = UHF
multiplicity = 2
charge = 0
direct = false
dertype = NONE
convergence = 10
maxiter = 100
guess = AUTO
nuclear repulsion energy 2.8353844382926
first run, so defaulting to core-hamiltonian guess
level shift = 0.100000
level shifting will stop after 10 cycles
diis scale factor = 1.000000
iterations before extrapolation = 0
6 error matrices will be kept
keeping integrals in 361328 bytes of core
The lowest eigenvalue of the overlap matrix was 1.049944e-03
Using DOCC and SOCC to
determine occupations
Symmetry block: A1 A2 B1 B2
DOCC: 3 0 0 0
SOCC: 0 0 0 1
reading integrals in the IWL format from files 33,35,36,37
16284 integrals written to file92 in 1 buffers
0 integrals written to file93 in 1 buffers
wrote 0 integrals to file92
iter total energy delta E delta P diiser
1 -35.7642084130 3.859959e+01 0.000000e+00 0.000000e+00
2 -36.9160779720 1.151870e+00 1.369451e-01 1.133227e+00
3 -38.1226368549 1.206559e+00 1.333342e-01 2.951923e-01
4 -38.2659917963 1.433549e-01 2.991859e-03 1.893595e-01
5 -38.2769680240 1.097623e-02 1.201081e-03 4.528017e-02
6 -38.2772477693 2.797453e-04 2.569559e-04 6.496954e-03
7 -38.2772965282 4.875888e-05 7.148805e-05 2.579765e-03
8 -38.2773055801 9.051945e-06 3.435567e-05 8.468907e-04
9 -38.2773068515 1.271428e-06 1.424853e-05 3.299847e-04
10 -38.2773069763 1.247519e-07 5.062392e-06 1.096506e-04
11 -38.2773069792 2.924658e-09 9.340148e-07 1.779892e-05
12 -38.2773069794 2.054605e-10 2.882730e-07 5.068865e-06
13 -38.2773069794 1.762857e-11 7.932787e-08 1.397427e-06
14 -38.2773069794 1.378453e-12 2.030655e-08 3.659050e-07
15 -38.2773069794 1.207923e-13 4.465452e-09 1.306202e-07
16 -38.2773069794 1.421085e-14 1.002949e-09 4.532152e-08
17 -38.2773069794 -7.105427e-15 4.304964e-10 1.377900e-08
18 -38.2773069794 2.131628e-14 2.636925e-10 6.056173e-09
19 -38.2773069794 0.000000e+00 9.852475e-11 2.164898e-09
Orbital energies (a.u.):
Alpha Occupied orbitals
1A1 -11.332066 2A1 -0.879880 3A1 -0.473450
1B2 -0.425620
Alpha Unoccupied orbitals
1B1 0.019307 4A1 0.035868 2B2 0.101627
5A1 0.103816 2B1 0.130108 6A1 0.174058
7A1 0.184475 3B1 0.188264 3B2 0.189598
1A2 0.202131 8A1 0.202634 9A1 0.318457
4B2 0.346682 4B1 0.354375 10A1 0.474340
5B2 0.624324 11A1 0.628900 5B1 0.678886
12A1 0.782234 6B2 1.037449 6B1 1.058241
13A1 1.193737 2A2 1.259001 14A1 1.260374
15A1 1.625309 7B2 1.664799 7B1 1.674532
16A1 2.345222 17A1 22.363068
Beta Occupied orbitals
1A1 -11.308312 2A1 -0.784769 3A1 -0.434351
Beta Unoccupied orbitals
1B1 0.032052 4A1 0.037461 1B2 0.060471
5A1 0.105274 2B1 0.139305 2B2 0.171476
6A1 0.179257 7A1 0.186913 3B1 0.188374
3B2 0.196685 1A2 0.209591 8A1 0.211724
9A1 0.323329 4B1 0.356299 4B2 0.368272
10A1 0.486245 11A1 0.641904 5B1 0.691463
5B2 0.733070 12A1 0.792212 6B1 1.061890
6B2 1.089579 13A1 1.218703 2A2 1.339895
14A1 1.341582 15A1 1.650039 7B1 1.680181
7B2 1.715921 16A1 2.357084 17A1 22.380139
* SCF total energy = -38.277306979440
kinetic energy = 38.227889940297
nuc. attr. energy = -94.814824666226
elec. rep. energy = 18.309627746490
potential energy = -76.505196919736
virial theorem = 1.998708972939
wavefunction norm = 1.000000000000
<S^2> = 0.759241627674
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:22 2008
user time = 0.03 seconds = 0.00 minutes
system time = 0.00 seconds = 0.00 minutes
total time = 0 seconds = 0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:22 2008
**************************************************
* TRANSQT2: Program to transform integrals from *
* the SO basis to the MO basis. *
* *
* Daniel, David, & Justin *
**************************************************
Input parameters:
-----------------
Wave function = EOM_CC3
Backtransform = No
Print Level = 1
Print TEIs = No
Reference wfn = UHF
Derivative = None
Delete TEI File = Yes
Memory (Mbytes) = 256.0
Cache Level = 2
Cache Type = LRU
Chkpt Parameters:
--------------------
Number of irreps = 4
Number of SOs = 33
Number of MOs = 33
Number of active MOs = 32
Label # SOs # FZDC # DOCC # SOCC # VIRT # FZVR
----- ----- ------ ------ ------ ------ ------
A1 17 1 2 0 14 0
A2 2 0 0 0 2 0
B1 7 0 0 0 7 0
B2 7 0 0 1 6 0
Nuclear Rep. energy (chkpt) = 2.83538443829255
SCF energy (chkpt) = -38.27730697943958
Presorting SO-basis two-electron integrals.
Sorting File: SO Ints (pq,rs) nbuckets = 1
Frozen-core energy = -33.304003561680105
Starting AA/AB first half-transformation.
Sorting AA/AB half-transformed integrals.
Starting AA second half-transformation.
Starting AB second half-transformation.
Starting BB first half-transformation.
Sorting BB half-transformed integrals.
Starting BB second half-transformation.
Two-electron integral transformation complete.
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:22 2008
user time = 0.12 seconds = 0.00 minutes
system time = 0.04 seconds = 0.00 minutes
total time = 0 seconds = 0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:22 2008
**************************
* *
* CCSORT *
* *
**************************
Input parameters:
-----------------
Wave function = EOM_CC3
Reference wfn = UHF
Derivative = None
Memory (Mbytes) = 256.0
AO Basis = NONE
Make (ab|cd) = True
Cache Level = 2
Cache Type = LRU
Local CC = No
Chkpt Parameters:
--------------------
Number of irreps = 4
Number of MOs = 33
Number of active MOs = 32
Label # MOs # FZDC # DOCC # SOCC # VIRT # FZVR
----- ----- ------ ------ ------ ------ ------
A1 17 1 2 0 14 0
A2 2 0 0 0 2 0
B1 7 0 0 0 7 0
B2 7 0 0 1 6 0
Nuclear Rep. energy (chkpt) = 2.83538443829255
SCF energy (chkpt) = -38.27730697943958
Size of irrep 0 of <AB|CD> integrals: 0.016 (MW) / 0.131 (MB)
Size of irrep 1 of <AB|CD> integrals: 0.005 (MW) / 0.039 (MB)
Size of irrep 2 of <AB|CD> integrals: 0.012 (MW) / 0.097 (MB)
Size of irrep 3 of <AB|CD> integrals: 0.010 (MW) / 0.077 (MB)
Total: 0.043 (MW) / 0.344 (MB)
Size of irrep 0 of <ab|cd> integrals: 0.018 (MW) / 0.144 (MB)
Size of irrep 1 of <ab|cd> integrals: 0.006 (MW) / 0.047 (MB)
Size of irrep 2 of <ab|cd> integrals: 0.013 (MW) / 0.100 (MB)
Size of irrep 3 of <ab|cd> integrals: 0.013 (MW) / 0.100 (MB)
Total: 0.049 (MW) / 0.392 (MB)
Size of irrep 0 of <Ab|Cd> integrals: 0.085 (MW) / 0.677 (MB)
Size of irrep 1 of <Ab|Cd> integrals: 0.022 (MW) / 0.173 (MB)
Size of irrep 2 of <Ab|Cd> integrals: 0.049 (MW) / 0.394 (MB)
Size of irrep 3 of <Ab|Cd> integrals: 0.044 (MW) / 0.353 (MB)
Total: 0.200 (MW) / 1.597 (MB)
Size of irrep 0 of <IA|BC> integrals: 0.010 (MW) / 0.078 (MB)
Size of irrep 1 of <IA|BC> integrals: 0.002 (MW) / 0.012 (MB)
Size of irrep 2 of <IA|BC> integrals: 0.004 (MW) / 0.028 (MB)
Size of irrep 3 of <IA|BC> integrals: 0.005 (MW) / 0.041 (MB)
Total: 0.020 (MW) / 0.159 (MB)
Size of irrep 0 of <ia|bc> integrals: 0.008 (MW) / 0.067 (MB)
Size of irrep 1 of <ia|bc> integrals: 0.001 (MW) / 0.005 (MB)
Size of irrep 2 of <ia|bc> integrals: 0.003 (MW) / 0.025 (MB)
Size of irrep 3 of <ia|bc> integrals: 0.003 (MW) / 0.025 (MB)
Total: 0.015 (MW) / 0.122 (MB)
Size of irrep 0 of <Ia|Bc> integrals: 0.010 (MW) / 0.081 (MB)
Size of irrep 1 of <Ia|Bc> integrals: 0.002 (MW) / 0.013 (MB)
Size of irrep 2 of <Ia|Bc> integrals: 0.004 (MW) / 0.028 (MB)
Size of irrep 3 of <Ia|Bc> integrals: 0.006 (MW) / 0.047 (MB)
Total: 0.021 (MW) / 0.170 (MB)
Size of irrep 0 of <iA|bC> integrals: 0.008 (MW) / 0.065 (MB)
Size of irrep 1 of <iA|bC> integrals: 0.001 (MW) / 0.005 (MB)
Size of irrep 2 of <iA|bC> integrals: 0.003 (MW) / 0.025 (MB)
Size of irrep 3 of <iA|bC> integrals: 0.003 (MW) / 0.020 (MB)
Total: 0.014 (MW) / 0.115 (MB)
Size of irrep 0 of tIjAb amplitudes: 0.001 (MW) / 0.009 (MB)
Size of irrep 1 of tIjAb amplitudes: 0.000 (MW) / 0.000 (MB)
Size of irrep 2 of tIjAb amplitudes: 0.000 (MW) / 0.000 (MB)
Size of irrep 3 of tIjAb amplitudes: 0.000 (MW) / 0.003 (MB)
Total: 0.002 (MW) / 0.013 (MB)
Sorting File: A <IJ|KL> nbuckets = 1
Sorting File: B <AB|CD> nbuckets = 1
Sorting File: C <IA|JB> nbuckets = 1
Sorting File: D <IJ|AB> nbuckets = 1
Sorting File: E <AI|JK> nbuckets = 1
Sorting File: F <IA|BC> nbuckets = 1
Sorting File: F <AI|BC> nbuckets = 1
Sorting File: A <ij|kl> nbuckets = 1
Sorting File: B <ab|cd> nbuckets = 1
Sorting File: C <ia|jb> nbuckets = 1
Sorting File: D <ij|ab> nbuckets = 1
Sorting File: E <ai|jk> nbuckets = 1
Sorting File: F <ia|bc> nbuckets = 1
Sorting File: F <ai|bc> nbuckets = 1
Sorting File: A <Ij|Kl> nbuckets = 1
Sorting File: B <Ab|Cd> nbuckets = 1
Sorting File: C <Ia|Jb> nbuckets = 1
Sorting File: C <Ai|Bj> nbuckets = 1
Sorting File: D <Ij|Ab> nbuckets = 1
Sorting File: E <Ai|Jk> nbuckets = 1
Sorting File: E <Ij|Ka> nbuckets = 1
Sorting File: F <Ia|Bc> nbuckets = 1
Sorting File: F <aI|bC> nbuckets = 1
Sorting File: F <Ab|Ci> nbuckets = 1
Sorting File: F <Ai|Bc> nbuckets = 1
One-electron energy = -12.61930540434733
Two-electron (AA) energy = 1.28902383347123
Two-electron (BB) energy = 0.38514919901889
Two-electron (AB) energy = 3.13644451580516
Two-electron energy = 4.81061754829529
Frozen-core energy (transqt) = -33.30400356168010
Reference energy = -38.27730697943960
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:23 2008
user time = 0.11 seconds = 0.00 minutes
system time = 0.08 seconds = 0.00 minutes
total time = 1 seconds = 0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:23 2008
**************************
* *
* CCENERGY *
* *
**************************
Nuclear Rep. energy (chkpt) = 2.835384438292552
SCF energy (chkpt) = -38.277306979439579
Reference energy (file100) = -38.277306979439601
Input parameters:
-----------------
Wave function = EOM_CC3
Reference wfn = UHF
Memory (Mbytes) = 256.0
Maxiter = 50
Convergence = 1.0e-07
Restart = Yes
DIIS = Yes
AO Basis = NONE
ABCD = NEW
Cache Level = 2
Cache Type = LRU
Print Level = 0
Num. of threads = 1
# Amps to Print = 10
Print MP2 Amps? = No
Analyze T2 Amps = No
Print Pair Ener = No
Local CC = No
T3 Ws incore = No
Solving CC Amplitude Equations
------------------------------
Iter Energy RMS T1Diag D1Diag New D1Diag
---- --------------------- --------- ---------- ---------- ----------
0 -0.081476453752663 0.000e+00 0.000000 0.000000 0.000000
1 -0.100346435308643 5.672e-02 0.008161 0.000000 0.000000
2 -0.109555881146815 2.715e-02 0.015638 0.000000 0.000000
3 -0.110501032990642 9.720e-03 0.018561 0.000000 0.000000
4 -0.110667161873754 3.256e-03 0.018723 0.000000 0.000000
5 -0.110662426331663 1.394e-03 0.018601 0.000000 0.000000
6 -0.110660983915212 6.048e-04 0.018487 0.000000 0.000000
7 -0.110673859315698 1.639e-04 0.018479 0.000000 0.000000
8 -0.110669649049731 4.988e-05 0.018476 0.000000 0.000000
9 -0.110669468520218 1.884e-05 0.018477 0.000000 0.000000
10 -0.110669326196189 7.575e-06 0.018478 0.000000 0.000000
11 -0.110669490766910 2.779e-06 0.018478 0.000000 0.000000
12 -0.110669430844295 1.046e-06 0.018478 0.000000 0.000000
13 -0.110669396287016 3.340e-07 0.018478 0.000000 0.000000
14 -0.110669396029365 1.268e-07 0.018478 0.000000 0.000000
15 -0.110669398503951 4.838e-08 0.018478 0.000000 0.000000
Iterations converged.
Largest TIA Amplitudes:
2 23 -0.0157828684
1 10 0.0103153845
2 25 0.0100703289
0 10 0.0098360815
1 4 0.0084650875
2 26 0.0058800110
0 4 0.0057794631
1 5 -0.0046285303
0 11 -0.0044674293
2 24 -0.0037007716
Largest Tia Amplitudes:
1 2 -0.0125268722
1 7 0.0107240156
0 11 0.0091243120
0 6 0.0085589733
1 6 -0.0082885076
0 8 -0.0078387769
1 5 0.0077298644
0 2 0.0074681055
0 7 -0.0073546368
0 5 -0.0065540762
Largest TIJAB Amplitudes:
2 1 27 8 0.0170039772
2 1 26 7 -0.0168950883
2 1 26 8 0.0131880569
2 1 25 8 0.0126949152
2 1 25 5 0.0116821289
2 1 27 5 0.0116725482
2 0 16 15 -0.0114956906
2 0 26 9 0.0113966853
2 1 26 5 0.0113407239
2 1 26 1 -0.0111991645
Largest Tijab Amplitudes:
1 0 28 24 0.0098916693
1 0 21 16 -0.0089611465
1 0 28 23 0.0078335631
1 0 21 17 0.0074816942
1 0 11 8 -0.0069531223
1 0 7 6 -0.0065143497
1 0 6 5 -0.0060795152
1 0 9 7 -0.0055672954
1 0 11 5 -0.0055040369
1 0 19 16 -0.0054916517
Largest TIjAb Amplitudes:
1 1 16 16 -0.0697656716
1 1 16 17 0.0534779367
1 1 17 16 -0.0443432047
0 0 16 16 0.0422728814
1 1 8 8 0.0422027068
0 0 16 17 -0.0355367970
1 1 17 17 0.0340106003
0 1 16 16 -0.0337951088
0 0 17 16 0.0294540164
0 1 16 17 0.0290773390
SCF energy (chkpt) = -38.277306979439579
Reference energy (file100) = -38.277306979439601
MP2 correlation energy = -0.081476453752663
* MP2 total energy = -38.358783433192265
CC3 correlation energy = -0.110669398503951
* CC3 total energy = -38.387976377943552
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:29 2008
user time = 4.17 seconds = 0.07 minutes
system time = 1.63 seconds = 0.03 minutes
total time = 6 seconds = 0.10 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:29 2008
**************************
* *
* CCHBAR *
* *
**************************
Dots of (HeT1)c in names "CC3 Wxxx" in CC3_HET1
Wamef terms
<WAMEF|WAMEF> = 1.5148725442
<Wamef|Wamef> = 1.0781495882
<WAmEf|WAmEf> = 0.9962446030
<WaMeF|WaMeF> = 1.5623092066
Wmnie terms
<WMNIE (M>N,IE)|WMNIE> = 0.1456067430
<Wmnie (m>n,ie)|Wmnie> = 0.0398536984
<WMnIe (Mn,Ie)|WMnIe> = 0.1546210400
<WmNiE (mN,iE)|WmNiE> = 0.1237859401
<WMNIE(M>N,EI)|WMNIE(M>N,EI)> = 0.1456067430
<Wmnie(m>n,ei)|Wmnie(m>n,ei)> = 0.0398536984
<WMnIe(Mn,eI)|WMnIe(Mn,eI)> = 0.1546210400
<WmNiE(mN,Ei)|WmNiE(mN,Ei)> = 0.1237859401
Doing Wmnij terms.
<WMNIJ (M>N,I>J)|WMNIJ> = 2.2118781052
<Wmnij (m>n,i>j)|Wmnij> = 0.6008945191
<WMnIj (Mn,Ij)|WMnIj> = 1.7132337901
Doing Wmbij terms.
<WMBIJ (MB,I>J)|WMBIJ> = 0.1472562822
<WMBIJ (I>J,MB)|WMBIJ> = 0.1472562822
<Wmbij (mb,i>j)|Wmbij> = 0.0397130855
<Wmbij (i>j,mb)|Wmbij> = 0.0397130855
<WMbIj (Mb,Ij)|WMbIj> = 0.1558746857
<WMbIj (Ij,Mb)|WMbIj> = 0.1558746857
<WmBiJ (mB,iJ)|WmBiJ> = 0.1252729472
<WmBiJ (iJ,mB)|WmBiJ> = 0.1252729472
Doing Wmbej terms.
<WMBEJ (all ME,JB)|WMBEJ> = 10.8219314456
<Wmbej|Wmbej> = 7.5544198359
<WMbEj|WMbEj> = 0.1943831046
<WmBeJ|WmBeJ> = 0.1936252097
<WMbeJ|WMbeJ> = 13.8683348710
<WmBEj|WmBEj> = 8.5272849695
Doing Wabei terms.
<WABEI (IE,B>A) |WABEI> = 1.5310507036
<Wabei (ie,b>a)|Wabei> = 1.0834645921
<WAbEi (iE,bA)|WAbEi> = 1.0090096054
<WAbEi (iE,Ba)|WAbEi> = 1.5797486155
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:29 2008
user time = 0.07 seconds = 0.00 minutes
system time = 0.07 seconds = 0.00 minutes
total time = 0 seconds = 0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:29 2008
**********************************************************
* CCEOM: An Equation of Motion Coupled Cluster Program *
**********************************************************
Nuclear Rep. energy (chkpt) = 2.835384438292552
SCF energy (chkpt) = -38.277306979439579
Reference energy (file100) = -38.277306979439601
CC3 energy (file100) = -0.110669398503951
Input parameters:
-----------------
Reference wfn = UHF
Reference EOM wfn= UHF
Memory (Mbytes) = 256.0
AO Basis = No
ABCD = NEW
Cache Level = 2
Cache Type = LRU
T3 Ws incore = No
Num. of threads = 1
Local CC = No
CCEOM parameters:
-----------------
States sought per irrep = A1 3, A2 0, B1 0, B2 0,
Max. number of iterations = 320
Vectors stored per root = 12
Print HbarSS iterations? = 0
Excitation range for HBarSS = 2
Eigenvalue tolerance = 1.0e-08
Eigenvalue toleranceSS = 1.0e-06
Residual vector tolerance = 1.0e-06
Residual vector toleranceSS = 1.0e-06
Complex tolerance = 1.0e-12
Root for properties = 2
Sym of state for properties = B2
Guess vectors taken from = SINGLES
Restart EOM CC3 = NO
Collapse with last vector = YES
Root following for CC3 turned on.
Fae dot Fae total 1048.9031947922
Fmi dot Fmi total 2.2574113876
WmBeJ and WMbEj dots 0.3605429580
Symmetry of ground state: B2
Symmetry of excited state: A1
Symmetry of right eigenvector: B2
Obtaining initial guess from singles-singles block of Hbar...SigmaSS, D(norm sigma)= 0.8428709739
SigmaSS, D(norm sigma)= 0.0753563896
SigmaSS, D(norm sigma)= -0.4626462853
SigmaSS, D(norm sigma)= 0.0637677853
SigmaSS, D(norm sigma)= 0.1405490496
SigmaSS, D(norm sigma)= 0.0767732828
SigmaSS, D(norm sigma)= -0.4089685201
SigmaSS, D(norm sigma)= 0.0764380294
SigmaSS, D(norm sigma)= -0.0583222141
SigmaSS, D(norm sigma)= 0.0470932195
SigmaSS, D(norm sigma)= 0.4499592631
SigmaSS, D(norm sigma)= 0.0753563896
SigmaSS, D(norm sigma)= -0.4626462853
SigmaSS, D(norm sigma)= 0.0637677853
SigmaSS, D(norm sigma)= 0.1405490496
SigmaSS, D(norm sigma)= 0.0767732828
SigmaSS, D(norm sigma)= -0.4089685201
SigmaSS, D(norm sigma)= 0.0764380294
SigmaSS, D(norm sigma)= -0.0583222141
SigmaSS, D(norm sigma)= 0.0470932195
SigmaSS, D(norm sigma)= 0.2636923709
SigmaSS, D(norm sigma)= -0.2390533571
SigmaSS, D(norm sigma)= 0.1729610916
SigmaSS, D(norm sigma)= 0.1713311946
SigmaSS, D(norm sigma)= -0.0175140506
SigmaSS, D(norm sigma)= 0.0617955137
SigmaSS, D(norm sigma)= -0.1518301640
SigmaSS, D(norm sigma)= 0.1340760303
SigmaSS, D(norm sigma)= 0.1287132070
SigmaSS, D(norm sigma)= -0.0326574907
SigmaSS, D(norm sigma)= -0.6893820759
SigmaSS, D(norm sigma)= 0.1158930544
SigmaSS, D(norm sigma)= 0.0632178163
SigmaSS, D(norm sigma)= -0.1791108707
SigmaSS, D(norm sigma)= 0.1158930544
SigmaSS, D(norm sigma)= 0.0632178163
SigmaSS, D(norm sigma)= -0.1791108707
SigmaSS, D(norm sigma)= 0.1158930544
SigmaSS, D(norm sigma)= 0.0632178163
SigmaSS, D(norm sigma)= 0.5349102350
SigmaSS, D(norm sigma)= -0.0529013030
SigmaSS, D(norm sigma)= 0.0696342684
SigmaSS, D(norm sigma)= -0.7307540710
SigmaSS, D(norm sigma)= 0.1158930544
SigmaSS, D(norm sigma)= 0.0632178163
SigmaSS, D(norm sigma)= 0.5349102350
SigmaSS, D(norm sigma)= -0.0529013030
SigmaSS, D(norm sigma)= 0.0696342684
SigmaSS, D(norm sigma)= -0.1087119797
SigmaSS, D(norm sigma)= -0.0962526524
SigmaSS, D(norm sigma)= 0.1445123835
SigmaSS, D(norm sigma)= -0.6703018224
SigmaSS, D(norm sigma)= 0.1158930544
SigmaSS, D(norm sigma)= 0.0632178163
SigmaSS, D(norm sigma)= 0.5349102350
SigmaSS, D(norm sigma)= -0.0529013030
SigmaSS, D(norm sigma)= 0.0696342684
SigmaSS, D(norm sigma)= -0.1087119797
SigmaSS, D(norm sigma)= -0.0962526524
SigmaSS, D(norm sigma)= 0.1445123835
SigmaSS, D(norm sigma)= 0.4420219271
SigmaSS, D(norm sigma)= -0.3070128842
SigmaSS, D(norm sigma)= 0.0668390347
SigmaSS, D(norm sigma)= -0.8721499001
SigmaSS, D(norm sigma)= 0.1158930544
SigmaSS, D(norm sigma)= 0.0632178163
SigmaSS, D(norm sigma)= 0.5349102350
SigmaSS, D(norm sigma)= -0.0529013030
SigmaSS, D(norm sigma)= 0.0696342684
SigmaSS, D(norm sigma)= -0.1087119797
SigmaSS, D(norm sigma)= -0.0962526524
SigmaSS, D(norm sigma)= 0.1445123835
SigmaSS, D(norm sigma)= 0.4420219271
SigmaSS, D(norm sigma)= -0.3070128842
SigmaSS, D(norm sigma)= 0.0668390347
SigmaSS, D(norm sigma)= 0.7306143949
SigmaSS, D(norm sigma)= 0.1347701239
SigmaSS, D(norm sigma)= -0.9225616554
SigmaSS, D(norm sigma)= -0.8149727635
SigmaSS, D(norm sigma)= 0.1158930544
SigmaSS, D(norm sigma)= 0.0632178163
SigmaSS, D(norm sigma)= 0.5349102350
SigmaSS, D(norm sigma)= -0.0529013030
SigmaSS, D(norm sigma)= 0.0696342684
SigmaSS, D(norm sigma)= -0.1087119797
SigmaSS, D(norm sigma)= -0.0962526524
SigmaSS, D(norm sigma)= 0.1445123835
SigmaSS, D(norm sigma)= 0.4420219271
SigmaSS, D(norm sigma)= -0.3070128842
SigmaSS, D(norm sigma)= 0.0668390347
SigmaSS, D(norm sigma)= 0.7306143949
SigmaSS, D(norm sigma)= 0.1347701239
SigmaSS, D(norm sigma)= -0.9225616554
SigmaSS, D(norm sigma)= 2.6622792286
SigmaSS, D(norm sigma)= 0.2051548635
SigmaSS, D(norm sigma)= -2.5330800061
SigmaSS, D(norm sigma)= -1.1502698947
SigmaSS, D(norm sigma)= 0.1141946331
SigmaSS, D(norm sigma)= 0.0627119146
SigmaSS, D(norm sigma)= -0.1769065477
SigmaSS, D(norm sigma)= 0.1141946331
SigmaSS, D(norm sigma)= 0.0627119146
SigmaSS, D(norm sigma)= 2.1229153105
SigmaSS, D(norm sigma)= -0.0551519663
SigmaSS, D(norm sigma)= -1.4487035703
SigmaSS, D(norm sigma)= -0.7959663216
SigmaSS, D(norm sigma)= 0.1141946331
SigmaSS, D(norm sigma)= 0.0627119146
SigmaSS, D(norm sigma)= 2.1229153105
SigmaSS, D(norm sigma)= -0.0551519663
SigmaSS, D(norm sigma)= -1.4487035703
SigmaSS, D(norm sigma)= 0.8504425184
SigmaSS, D(norm sigma)= 1.8771221747
SigmaSS, D(norm sigma)= -3.5235310147
SigmaSS, D(norm sigma)= 0.1141946331
SigmaSS, D(norm sigma)= 0.0627119146
SigmaSS, D(norm sigma)= 2.1229153105
SigmaSS, D(norm sigma)= -0.0551519663
SigmaSS, D(norm sigma)= -1.4487035703
SigmaSS, D(norm sigma)= 0.8504425184
SigmaSS, D(norm sigma)= 1.8771221747
SigmaSS, D(norm sigma)= -0.9628485114
SigmaSS, D(norm sigma)= 1.1753538667
SigmaSS, D(norm sigma)= -3.7360363700
SigmaSS, D(norm sigma)= 0.1141946331
SigmaSS, D(norm sigma)= 0.0627119146
SigmaSS, D(norm sigma)= 2.1229153105
SigmaSS, D(norm sigma)= -0.0551519663
SigmaSS, D(norm sigma)= -1.4487035703
SigmaSS, D(norm sigma)= 0.8504425184
SigmaSS, D(norm sigma)= 1.8771221747
SigmaSS, D(norm sigma)= -0.9628485114
SigmaSS, D(norm sigma)= 1.1753538667
SigmaSS, D(norm sigma)= -2.7097772886
SigmaSS, D(norm sigma)= -1.0262590814
SigmaSS, D(norm sigma)= 0.1141946331
SigmaSS, D(norm sigma)= 0.0627119146
SigmaSS, D(norm sigma)= 2.1229153105
SigmaSS, D(norm sigma)= -0.0551519663
SigmaSS, D(norm sigma)= -1.4487035703
SigmaSS, D(norm sigma)= 0.8504425184
SigmaSS, D(norm sigma)= 1.8771221747
SigmaSS, D(norm sigma)= -0.9628485114
SigmaSS, D(norm sigma)= 1.1753538667
SigmaSS, D(norm sigma)= -2.7097772886
SigmaSS, D(norm sigma)= 0.4081784313
SigmaSS, D(norm sigma)= -1.4344375126
SigmaSS, D(norm sigma)= 0.1141946331
SigmaSS, D(norm sigma)= 0.0627119146
SigmaSS, D(norm sigma)= 2.1229153105
SigmaSS, D(norm sigma)= -0.0551519663
SigmaSS, D(norm sigma)= -1.4487035703
SigmaSS, D(norm sigma)= 0.8504425184
SigmaSS, D(norm sigma)= 1.8771221747
SigmaSS, D(norm sigma)= -0.9628485114
SigmaSS, D(norm sigma)= 1.1753538667
SigmaSS, D(norm sigma)= -2.7097772886
SigmaSS, D(norm sigma)= 0.4081784313
SigmaSS, D(norm sigma)= -0.6315139807
SigmaSS, D(norm sigma)= -0.8029235319
SigmaSS, D(norm sigma)= 0.1141946331
SigmaSS, D(norm sigma)= 0.0627119146
SigmaSS, D(norm sigma)= 2.1229153105
SigmaSS, D(norm sigma)= -0.0551519663
SigmaSS, D(norm sigma)= -1.4487035703
SigmaSS, D(norm sigma)= 0.8504425184
SigmaSS, D(norm sigma)= 1.8771221747
SigmaSS, D(norm sigma)= -0.9628485114
SigmaSS, D(norm sigma)= 1.1753538667
SigmaSS, D(norm sigma)= -2.7097772886
SigmaSS, D(norm sigma)= 0.4081784313
SigmaSS, D(norm sigma)= -0.6315139807
SigmaSS, D(norm sigma)= 0.4918627553
Done.
DPD File2: CME 0
DPD Parameters:
------------------
pnum = 0 qnum = 1 irrep = 3
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 6
Irrep: 1 row = 0 col = 7
Irrep: 2 row = 0 col = 2
Irrep: 3 row = 1 col = 14
File 141 DPD File2: CME 0
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5
( 23) ( 24) ( 25) ( 26) ( 27) ( 28)
0 ( 0) 0.012096227933283 0.004457510723258 -0.013425875762999 -0.007211353366437 -0.017417838793299 0.005188508589171
1 ( 1) 0.034929047544600 0.022051455276967 -0.025771109867508 -0.012098791681073 -0.024451584588065 0.022249864213148
File 141 DPD File2: CME 0
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5 6
( 16) ( 17) ( 18) ( 19) ( 20) ( 21) ( 22)
File 141 DPD File2: CME 0
Matrix for Irrep 2
----------------------------------------
0 1
( 14) ( 15)
File 141 DPD File2: CME 0
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
0 ( 2) -0.014127795207962 -0.032351243466137 0.027544643372170 0.000719468418541 -0.029998279323095 0.013367962777350 -0.015463449120058 -0.020275891443361 0.002872290521530
9 10 11 12 13
( 9) ( 10) ( 11) ( 12) ( 13)
0 ( 2) -0.000958651105285 -0.032295847285981 -0.010814675618047 -0.006789683510778 0.000064965258908
DPD File2: Cme 0
DPD Parameters:
------------------
pnum = 2 qnum = 3 irrep = 3
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 7
Irrep: 1 row = 0 col = 7
Irrep: 2 row = 0 col = 2
Irrep: 3 row = 0 col = 14
File 142 DPD File2: Cme 0
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5 6
( 23) ( 24) ( 25) ( 26) ( 27) ( 28) ( 29)
0 ( 0) -0.012490105341052 -0.001436699220022 0.021808080884378 0.021040509974203 -0.003297134519002 0.030639928622392 0.011416006704137
1 ( 1) -0.730769869006193 -0.618436277344345 0.176761543167647 -0.137082948562672 -0.145216228605918 -0.030658305483800 0.001875930421882
File 142 DPD File2: Cme 0
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5 6
( 16) ( 17) ( 18) ( 19) ( 20) ( 21) ( 22)
File 142 DPD File2: Cme 0
Matrix for Irrep 2
----------------------------------------
0 1
( 14) ( 15)
File 142 DPD File2: Cme 0
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
9 10 11 12 13
( 9) ( 10) ( 11) ( 12) ( 13)
DPD File2: CME 1
DPD Parameters:
------------------
pnum = 0 qnum = 1 irrep = 3
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 6
Irrep: 1 row = 0 col = 7
Irrep: 2 row = 0 col = 2
Irrep: 3 row = 1 col = 14
File 141 DPD File2: CME 1
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5
( 23) ( 24) ( 25) ( 26) ( 27) ( 28)
0 ( 0) -0.031748789377309 -0.000394594899185 0.017533491988076 0.020265338751010 -0.001297766579701 0.006115384242791
1 ( 1) -0.046227131729282 0.014353623823991 0.008711474025914 0.019033016384218 -0.000199367626493 0.003042198052843
File 141 DPD File2: CME 1
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5 6
( 16) ( 17) ( 18) ( 19) ( 20) ( 21) ( 22)
File 141 DPD File2: CME 1
Matrix for Irrep 2
----------------------------------------
0 1
( 14) ( 15)
File 141 DPD File2: CME 1
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
0 ( 2) 0.858368175438412 -0.085581940474219 -0.441829831090563 0.095559034988219 -0.055396708919872 0.117841993997144 0.151468711915452 -0.006454295168915 0.033928859405241
9 10 11 12 13
( 9) ( 10) ( 11) ( 12) ( 13)
0 ( 2) -0.036053909438046 -0.000801828755099 0.018595704682203 -0.007081789022258 0.000229416549508
DPD File2: Cme 1
DPD Parameters:
------------------
pnum = 2 qnum = 3 irrep = 3
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 7
Irrep: 1 row = 0 col = 7
Irrep: 2 row = 0 col = 2
Irrep: 3 row = 0 col = 14
File 142 DPD File2: Cme 1
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5 6
( 23) ( 24) ( 25) ( 26) ( 27) ( 28) ( 29)
0 ( 0) -0.028910407631729 -0.036707350191496 0.012879700874530 -0.013131859233448 -0.022916800763502 -0.000374145455718 0.007088572318235
1 ( 1) -0.027955978685945 -0.007884497244348 -0.011371925801544 -0.003162477513779 0.009246452845546 0.004315933200440 0.002642821594965
File 142 DPD File2: Cme 1
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5 6
( 16) ( 17) ( 18) ( 19) ( 20) ( 21) ( 22)
File 142 DPD File2: Cme 1
Matrix for Irrep 2
----------------------------------------
0 1
( 14) ( 15)
File 142 DPD File2: Cme 1
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
9 10 11 12 13
( 9) ( 10) ( 11) ( 12) ( 13)
DPD File2: CME 2
DPD Parameters:
------------------
pnum = 0 qnum = 1 irrep = 3
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 6
Irrep: 1 row = 0 col = 7
Irrep: 2 row = 0 col = 2
Irrep: 3 row = 1 col = 14
File 141 DPD File2: CME 2
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5
( 23) ( 24) ( 25) ( 26) ( 27) ( 28)
0 ( 0) -0.014579930937437 0.020944321239597 -0.007071517036834 0.011661355046197 0.007085675022743 -0.009122553499580
1 ( 1) -0.088010752842967 0.039283564050454 0.018853545628804 0.023008356415934 0.009771579315393 -0.003511869650735
File 141 DPD File2: CME 2
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5 6
( 16) ( 17) ( 18) ( 19) ( 20) ( 21) ( 22)
File 141 DPD File2: CME 2
Matrix for Irrep 2
----------------------------------------
0 1
( 14) ( 15)
File 141 DPD File2: CME 2
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
0 ( 2) 0.096265178273535 0.905481138544586 -0.008235215729364 0.249305252600545 -0.054263645969607 -0.262701167410369 -0.057477504439313 0.071748251846453 -0.102119427373313
9 10 11 12 13
( 9) ( 10) ( 11) ( 12) ( 13)
0 ( 2) -0.019392075095386 -0.001090604351187 -0.009127885826329 0.009587086271670 0.000055590061910
DPD File2: Cme 2
DPD Parameters:
------------------
pnum = 2 qnum = 3 irrep = 3
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 7
Irrep: 1 row = 0 col = 7
Irrep: 2 row = 0 col = 2
Irrep: 3 row = 0 col = 14
File 142 DPD File2: Cme 2
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5 6
( 23) ( 24) ( 25) ( 26) ( 27) ( 28) ( 29)
0 ( 0) 0.005399083194859 0.005467890259556 -0.000496589160678 0.001344986101727 -0.000505029437391 -0.004734388849406 -0.004229778610356
1 ( 1) -0.070907997729736 0.012898819839022 -0.013719555929340 0.011836856494613 0.016813934988095 0.007181633169055 0.004025201868074
File 142 DPD File2: Cme 2
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5 6
( 16) ( 17) ( 18) ( 19) ( 20) ( 21) ( 22)
File 142 DPD File2: Cme 2
Matrix for Irrep 2
----------------------------------------
0 1
( 14) ( 15)
File 142 DPD File2: Cme 2
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
9 10 11 12 13
( 9) ( 10) ( 11) ( 12) ( 13)
resetting norm
Iter=1 L=3 resetting norm
SigmaSS, D(norm sigma)= 0.1941009363
FSD , D(norm sigma)= 0.0000000000
WamefSD, D(norm sigma)= 0.0000000000
WmnieSD, D(norm sigma)= 0.0000000000
WmaijDS, D(norm sigma)= 0.1145847945
WabejDS, D(norm sigma)= 0.0596170952
WnmjeDS, D(norm sigma)= 0.0025181323
WbmfeDS, D(norm sigma)= 0.0018348978
Fbe_FDD , D(norm sigma)= 0.0000000000
Fmj_DD, D(norm sigma)= 0.0000000000
WmnijDD, D(norm sigma)= 0.0000000000
WabefDD, D(norm sigma)= 0.0000000000
WmbejDD, D(norm sigma)= 0.0000000000
WmnefDD XAF, D(norm sigma)= 0.0000000000
WmnefDD XLI, D(norm sigma)= 0.0000000000
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3082955714
FSD , D(norm sigma)= 0.0000000000
WamefSD, D(norm sigma)= 0.0000000000
WmnieSD, D(norm sigma)= 0.0000000000
WmaijDS, D(norm sigma)= 0.0872316797
WabejDS, D(norm sigma)= 0.0154853001
WnmjeDS, D(norm sigma)= 0.0001341137
WbmfeDS, D(norm sigma)= 0.0004277792
Fbe_FDD , D(norm sigma)= 0.0000000000
Fmj_DD, D(norm sigma)= 0.0000000000
WmnijDD, D(norm sigma)= 0.0000000000
WabefDD, D(norm sigma)= 0.0000000000
WmbejDD, D(norm sigma)= 0.0000000000
WmnefDD XAF, D(norm sigma)= 0.0000000000
WmnefDD XLI, D(norm sigma)= 0.0000000000
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3710070739
FSD , D(norm sigma)= 0.0000000000
WamefSD, D(norm sigma)= 0.0000000000
WmnieSD, D(norm sigma)= 0.0000000000
WmaijDS, D(norm sigma)= 0.0744736422
WabejDS, D(norm sigma)= 0.0091981168
WnmjeDS, D(norm sigma)= -0.0000922758
WbmfeDS, D(norm sigma)= 0.0002580084
Fbe_FDD , D(norm sigma)= 0.0000000000
Fmj_DD, D(norm sigma)= 0.0000000000
WmnijDD, D(norm sigma)= 0.0000000000
WabefDD, D(norm sigma)= 0.0000000000
WmbejDD, D(norm sigma)= 0.0000000000
WmnefDD XAF, D(norm sigma)= 0.0000000000
WmnefDD XLI, D(norm sigma)= 0.0000000000
resetting norm
The G Matrix
0 1 2
0 0.194100936333467 0.000306577660943 0.000050433943665
1 -0.000000000000000 0.308295418936790 0.000073175889496
2 0.000000000000000 0.000000000000000 0.371007063266953
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.3181150949670
Norm of residual vector 0 after precondition 0.3181150949670
1 0.1941009363 1.94e-01 3.18e-01 N
Norm of residual vector af preconditioning 0.1376281186162
Norm of residual vector 1 before precondition 0.2726774813386
Norm of residual vector 1 after precondition 0.2726774813386
2 0.3082954189 3.08e-01 2.73e-01 N
Norm of residual vector af preconditioning 0.1774878501245
Norm of residual vector 2 before precondition 0.2631019388372
Norm of residual vector 2 after precondition 0.2631019388372
3 0.3710070633 3.71e-01 2.63e-01 N
Norm of residual vector af preconditioning 0.1709907076738
Iter=2 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.0000055650
FSD , D(norm sigma)= 0.0010651973
WamefSD, D(norm sigma)= 0.2678911980
WmnieSD, D(norm sigma)= 0.0694348599
WmaijDS, D(norm sigma)= 0.0000000000
WabejDS, D(norm sigma)= 0.0000000000
WnmjeDS, D(norm sigma)= -0.0000000000
WbmfeDS, D(norm sigma)= -0.0000000000
Fbe_FDD , D(norm sigma)= 1.1714752272
Fmj_DD, D(norm sigma)= 1.0181321862
WmnijDD, D(norm sigma)= 0.4822085237
WabefDD, D(norm sigma)= 0.5240825716
WmbejDD, D(norm sigma)= -1.6776405253
WmnefDD XAF, D(norm sigma)= 0.0076625104
WmnefDD XLI, D(norm sigma)= 0.0018892808
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.0000018212
FSD , D(norm sigma)= 0.0007262044
WamefSD, D(norm sigma)= 0.0704095792
WmnieSD, D(norm sigma)= 0.2137164881
WmaijDS, D(norm sigma)= 0.0000000000
WabejDS, D(norm sigma)= 0.0000000000
WnmjeDS, D(norm sigma)= 0.0000000000
WbmfeDS, D(norm sigma)= 0.0000000000
Fbe_FDD , D(norm sigma)= 0.5572496818
Fmj_DD, D(norm sigma)= 1.0146772150
WmnijDD, D(norm sigma)= 0.4670945742
WabefDD, D(norm sigma)= 0.2639076968
WmbejDD, D(norm sigma)= -1.1876197549
WmnefDD XAF, D(norm sigma)= 0.0089397095
WmnefDD XLI, D(norm sigma)= 0.0002790672
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.0000029521
FSD , D(norm sigma)= 0.0005924196
WamefSD, D(norm sigma)= 0.0623018430
WmnieSD, D(norm sigma)= 0.2113503567
WmaijDS, D(norm sigma)= 0.0000000000
WabejDS, D(norm sigma)= 0.0000000000
WnmjeDS, D(norm sigma)= 0.0000000000
WbmfeDS, D(norm sigma)= 0.0000000000
Fbe_FDD , D(norm sigma)= 0.6049107016
Fmj_DD, D(norm sigma)= 1.0336865539
WmnijDD, D(norm sigma)= 0.4738511290
WabefDD, D(norm sigma)= 0.2344949857
WmbejDD, D(norm sigma)= -1.1662609123
WmnefDD XAF, D(norm sigma)= 0.0088195381
WmnefDD XLI, D(norm sigma)= 0.0000547898
resetting norm
The G Matrix
0 1 2 3 4
0 0.194100936333467 0.000306577660943 0.000050433943665 -0.318183687114581 -0.001556945727390
1 -0.000000000000000 0.308295418936790 0.000073175889496 -0.000462576578605 -0.277320095849183
2 0.000000000000000 0.000000000000000 0.371007063266953 -0.010886667190544 0.016623320760043
3 -0.299718172746006 -0.001436240402756 -0.008984724182633 1.688260049437391 0.005757846815323
4 -0.001520897091998 -0.252736266682885 0.016171456190726 0.005995455172407 1.289690928383917
5 0.000929437548044 0.006074943011113 -0.244270358413801 -0.021828399121030 -0.032868192221685
5
0 0.000694553321658
1 0.005612129464447
2 -0.267486330429720
3 -0.021966448808971
4 -0.033032102959648
5 1.360947111868654
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0608748719686
Norm of residual vector 0 after precondition 0.0608748719686
1 0.1327440927 -6.14e-02 6.09e-02 N
Norm of residual vector af preconditioning 0.0335974707312
Norm of residual vector 1 before precondition 0.0615765427540
Norm of residual vector 1 after precondition 0.0615765427540
2 0.2412550975 -6.70e-02 6.16e-02 N
Norm of residual vector af preconditioning 0.0407644441204
Norm of residual vector 2 before precondition 0.0578251960321
Norm of residual vector 2 after precondition 0.0578251960321
3 0.3089080830 -6.21e-02 5.78e-02 N
Norm of residual vector af preconditioning 0.0412462174315
Iter=3 L=9 resetting norm
SigmaSS, D(norm sigma)= 0.5090300201
FSD , D(norm sigma)= 0.0001510777
WamefSD, D(norm sigma)= 0.0000688063
WmnieSD, D(norm sigma)= 0.0050527993
WmaijDS, D(norm sigma)= 0.0149506537
WabejDS, D(norm sigma)= 0.0043471946
WnmjeDS, D(norm sigma)= 0.0002754034
WbmfeDS, D(norm sigma)= -0.0001118003
Fbe_FDD , D(norm sigma)= 0.6808412868
Fmj_DD, D(norm sigma)= 0.7099484909
WmnijDD, D(norm sigma)= 0.3755956451
WabefDD, D(norm sigma)= 0.3336469917
WmbejDD, D(norm sigma)= -1.2019746970
WmnefDD XAF, D(norm sigma)= 0.0018000872
WmnefDD XLI, D(norm sigma)= 0.0000408835
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3284129728
FSD , D(norm sigma)= 0.0000839556
WamefSD, D(norm sigma)= -0.0078992234
WmnieSD, D(norm sigma)= 0.0264125044
WmaijDS, D(norm sigma)= 0.0188620999
WabejDS, D(norm sigma)= -0.0016328629
WnmjeDS, D(norm sigma)= 0.0001089359
WbmfeDS, D(norm sigma)= 0.0000894794
Fbe_FDD , D(norm sigma)= 0.5105689861
Fmj_DD, D(norm sigma)= 0.8593611932
WmnijDD, D(norm sigma)= 0.4310301631
WabefDD, D(norm sigma)= 0.2444737986
WmbejDD, D(norm sigma)= -1.1098928490
WmnefDD XAF, D(norm sigma)= 0.0012493187
WmnefDD XLI, D(norm sigma)= 0.0001577942
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3430643755
FSD , D(norm sigma)= 0.0000516075
WamefSD, D(norm sigma)= -0.0130752128
WmnieSD, D(norm sigma)= 0.0222661073
WmaijDS, D(norm sigma)= 0.0180873169
WabejDS, D(norm sigma)= -0.0014199820
WnmjeDS, D(norm sigma)= 0.0000024175
WbmfeDS, D(norm sigma)= 0.0000349970
Fbe_FDD , D(norm sigma)= 0.4687930127
Fmj_DD, D(norm sigma)= 0.8757683416
WmnijDD, D(norm sigma)= 0.4420279752
WabefDD, D(norm sigma)= 0.2268861939
WmbejDD, D(norm sigma)= -1.1223917597
WmnefDD XAF, D(norm sigma)= 0.0013466543
WmnefDD XLI, D(norm sigma)= 0.0000619209
resetting norm
The G Matrix
0 1 2 3 4
0 0.194100936333467 0.000306577660943 0.000050433943665 -0.318183687114581 -0.001556945727390
1 -0.000000000000000 0.308295418936790 0.000073175889496 -0.000462576578605 -0.277320095849183
2 0.000000000000000 0.000000000000000 0.371007063266953 -0.010886667190544 0.016623320760043
3 -0.299718172746006 -0.001436240402756 -0.008984724182633 1.688260049437391 0.005757846815323
4 -0.001520897091998 -0.252736266682885 0.016171456190726 0.005995455172407 1.289690928383917
5 0.000929437548044 0.006074943011113 -0.244270358413801 -0.021828399121030 -0.032868192221685
6 -0.024535706566891 -0.002833857676679 -0.003114835668961 0.404492949573959 0.025717144364827
7 -0.002902151439153 0.014442820441633 0.000298974864923 0.012193817165429 0.170076560834654
8 0.009673994868275 0.002106704226987 -0.013587344063205 -0.046270564294307 0.007048433984947
5 6 7 8
0 0.000694553321658 -0.023534221416565 -0.003324376665100 0.011339489904660
1 0.005612129464447 -0.004415925393421 0.018381680953146 0.003699790135994
2 -0.267486330429720 -0.002235909826695 -0.000614028647279 -0.017300484857411
3 -0.021966448808971 0.397017406122317 0.012837718801958 -0.046934335196566
4 -0.033032102959648 0.026046997379311 0.166122955661329 0.007223440116316
5 1.360947111868654 0.030397525079416 -0.012030446181927 -0.160785898514004
6 0.030860676006527 1.037372277609788 -0.030035561319416 0.013529605691711
7 -0.011259809331177 -0.030524417892996 1.136639695252982 0.128725584300394
8 -0.165375500500898 0.013354175770092 0.128476686501225 1.124457735142912
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0328447284125
Norm of residual vector 0 after precondition 0.0328447284125
1 0.1290432619 -3.70e-03 3.28e-02 N
Norm of residual vector af preconditioning 0.0223683125526
Norm of residual vector 1 before precondition 0.0214055640580
Norm of residual vector 1 after precondition 0.0214055640580
2 0.2375003418 -3.75e-03 2.14e-02 N
Norm of residual vector af preconditioning 0.0160927769570
Norm of residual vector 2 before precondition 0.0228298601845
Norm of residual vector 2 after precondition 0.0228298601845
3 0.3050503232 -3.86e-03 2.28e-02 N
Norm of residual vector af preconditioning 0.0185374206512
Iter=4 L=12 resetting norm
SigmaSS, D(norm sigma)= 0.3894217697
FSD , D(norm sigma)= -0.0000275515
WamefSD, D(norm sigma)= 0.0198142051
WmnieSD, D(norm sigma)= 0.0205034100
WmaijDS, D(norm sigma)= 0.0154844977
WabejDS, D(norm sigma)= 0.0022150722
WnmjeDS, D(norm sigma)= 0.0000833241
WbmfeDS, D(norm sigma)= -0.0000371163
Fbe_FDD , D(norm sigma)= 0.6481490349
Fmj_DD, D(norm sigma)= 0.6775314427
WmnijDD, D(norm sigma)= 0.3845311918
WabefDD, D(norm sigma)= 0.3567438588
WmbejDD, D(norm sigma)= -1.0861694351
WmnefDD XAF, D(norm sigma)= 0.0014974327
WmnefDD XLI, D(norm sigma)= 0.0005435948
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2506423244
FSD , D(norm sigma)= 0.0000068094
WamefSD, D(norm sigma)= -0.0015688589
WmnieSD, D(norm sigma)= 0.0191529592
WmaijDS, D(norm sigma)= 0.0180062072
WabejDS, D(norm sigma)= 0.0042621262
WnmjeDS, D(norm sigma)= -0.0000060033
WbmfeDS, D(norm sigma)= -0.0001544119
Fbe_FDD , D(norm sigma)= 0.4852569074
Fmj_DD, D(norm sigma)= 0.8452883240
WmnijDD, D(norm sigma)= 0.4203398416
WabefDD, D(norm sigma)= 0.2533029134
WmbejDD, D(norm sigma)= -0.9994120414
WmnefDD XAF, D(norm sigma)= 0.0020178943
WmnefDD XLI, D(norm sigma)= 0.0003656934
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2104218132
FSD , D(norm sigma)= 0.0000646121
WamefSD, D(norm sigma)= -0.0002574372
WmnieSD, D(norm sigma)= 0.0066310804
WmaijDS, D(norm sigma)= 0.0167247897
WabejDS, D(norm sigma)= 0.0029569425
WnmjeDS, D(norm sigma)= 0.0000070007
WbmfeDS, D(norm sigma)= 0.0000371663
Fbe_FDD , D(norm sigma)= 0.5472656559
Fmj_DD, D(norm sigma)= 0.8643712222
WmnijDD, D(norm sigma)= 0.4295869493
WabefDD, D(norm sigma)= 0.2576822150
WmbejDD, D(norm sigma)= -0.9781117588
WmnefDD XAF, D(norm sigma)= 0.0021102178
WmnefDD XLI, D(norm sigma)= 0.0001515796
resetting norm
The G Matrix
0 1 2 3 4
0 0.194100936333467 0.000306577660943 0.000050433943665 -0.318183687114581 -0.001556945727390
1 -0.000000000000000 0.308295418936790 0.000073175889496 -0.000462576578605 -0.277320095849183
2 0.000000000000000 0.000000000000000 0.371007063266953 -0.010886667190544 0.016623320760043
3 -0.299718172746006 -0.001436240402756 -0.008984724182633 1.688260049437391 0.005757846815323
4 -0.001520897091998 -0.252736266682885 0.016171456190726 0.005995455172407 1.289690928383917
5 0.000929437548044 0.006074943011113 -0.244270358413801 -0.021828399121030 -0.032868192221685
6 -0.024535706566891 -0.002833857676679 -0.003114835668961 0.404492949573959 0.025717144364827
7 -0.002902151439153 0.014442820441633 0.000298974864923 0.012193817165429 0.170076560834654
8 0.009673994868275 0.002106704226987 -0.013587344063205 -0.046270564294307 0.007048433984947
9 -0.034792056691795 -0.002105196369105 0.001035775122477 0.132272980950728 0.003402855143045
10 -0.004120880865273 0.037826777753943 -0.001568978269621 0.025868880842127 -0.161342258779619
11 -0.001575438473204 -0.007624768976767 0.042542891969297 0.013188833362436 0.037071239872568
5 6 7 8 9
0 0.000694553321658 -0.023534221416565 -0.003324376665100 0.011339489904660 -0.035021219919570
1 0.005612129464447 -0.004415925393421 0.018381680953146 0.003699790135994 -0.003840130626909
2 -0.267486330429720 -0.002235909826695 -0.000614028647279 -0.017300484857411 0.003050979576058
3 -0.021966448808971 0.397017406122317 0.012837718801958 -0.046934335196566 0.133498363324441
4 -0.033032102959648 0.026046997379311 0.166122955661329 0.007223440116316 0.003873737272822
5 1.360947111868654 0.030397525079416 -0.012030446181927 -0.160785898514004 -0.015873964672137
6 0.030860676006527 1.037372277609788 -0.030035561319416 0.013529605691711 -0.533891277279130
7 -0.011259809331177 -0.030524417892996 1.136639695252982 0.128725584300394 -0.047584321668039
8 -0.165375500500898 0.013354175770092 0.128476686501225 1.124457735142912 -0.024532713159349
9 -0.015623243699260 -0.532361238440534 -0.047101262639220 -0.023534748859036 0.955738109262282
10 -0.002384048383152 -0.001719706694494 0.251127955602593 -0.004795083199245 0.015757508374509
11 -0.178542416094912 -0.005938040156103 -0.023061129677334 -0.278544765592282 0.020523505353091
10 11
0 -0.002800753777955 -0.000390942345706
1 0.044367810202119 -0.010241731186339
2 -0.003545837937918 0.048751617665196
3 0.024422340584729 0.013287930406086
4 -0.161186220698090 0.037205043528211
5 -0.001579329251392 -0.177317732123349
6 -0.002186747878456 -0.007384132308134
7 0.251651324699910 -0.022155548346066
8 -0.005608240462846 -0.278975613647629
9 0.016971385297803 0.020026768007580
10 1.114317823254510 -0.109289479404642
11 -0.109637126601914 1.194969065310894
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0330978701433
Norm of residual vector 0 after precondition 0.0330978701433
1 0.1269053197 -2.14e-03 3.31e-02 N
Norm of residual vector af preconditioning 0.0199075062024
Norm of residual vector 1 before precondition 0.0180070318212
Norm of residual vector 1 after precondition 0.0180070318212
2 0.2369505625 -5.50e-04 1.80e-02 N
Norm of residual vector af preconditioning 0.0123771332415
Norm of residual vector 2 before precondition 0.0364735204149
Norm of residual vector 2 after precondition 0.0364735204149
3 0.3038564681 -1.19e-03 3.65e-02 N
Norm of residual vector af preconditioning 0.0253427819954
Iter=5 L=15 resetting norm
SigmaSS, D(norm sigma)= 0.4205072806
FSD , D(norm sigma)= 0.0001780279
WamefSD, D(norm sigma)= 0.0027592458
WmnieSD, D(norm sigma)= 0.0164744194
WmaijDS, D(norm sigma)= 0.0097136332
WabejDS, D(norm sigma)= 0.0025637886
WnmjeDS, D(norm sigma)= 0.0000985194
WbmfeDS, D(norm sigma)= 0.0000874683
Fbe_FDD , D(norm sigma)= 0.6823561794
Fmj_DD, D(norm sigma)= 0.8114432684
WmnijDD, D(norm sigma)= 0.4212097633
WabefDD, D(norm sigma)= 0.3573124051
WmbejDD, D(norm sigma)= -1.1643446746
WmnefDD XAF, D(norm sigma)= 0.0028949293
WmnefDD XLI, D(norm sigma)= 0.0005791026
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3593379605
FSD , D(norm sigma)= 0.0000533281
WamefSD, D(norm sigma)= -0.0261148047
WmnieSD, D(norm sigma)= 0.0182464313
WmaijDS, D(norm sigma)= 0.0278718572
WabejDS, D(norm sigma)= 0.0031494218
WnmjeDS, D(norm sigma)= 0.0000065209
WbmfeDS, D(norm sigma)= -0.0001519243
Fbe_FDD , D(norm sigma)= 0.4610187605
Fmj_DD, D(norm sigma)= 0.8480453895
WmnijDD, D(norm sigma)= 0.3744037507
WabefDD, D(norm sigma)= 0.2278376694
WmbejDD, D(norm sigma)= -0.9801357294
WmnefDD XAF, D(norm sigma)= 0.0009516961
WmnefDD XLI, D(norm sigma)= 0.0002356948
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3665475795
FSD , D(norm sigma)= 0.0000433343
WamefSD, D(norm sigma)= -0.0086995563
WmnieSD, D(norm sigma)= 0.0052537203
WmaijDS, D(norm sigma)= 0.0312072534
WabejDS, D(norm sigma)= 0.0019951782
WnmjeDS, D(norm sigma)= 0.0000744496
WbmfeDS, D(norm sigma)= 0.0001040497
Fbe_FDD , D(norm sigma)= 0.4651896331
Fmj_DD, D(norm sigma)= 0.7531459382
WmnijDD, D(norm sigma)= 0.3485697588
WabefDD, D(norm sigma)= 0.2341679429
WmbejDD, D(norm sigma)= -0.9207734877
WmnefDD XAF, D(norm sigma)= 0.0008918281
WmnefDD XLI, D(norm sigma)= 0.0000534219
resetting norm
The G Matrix
0 1 2 3 4
0 0.194100936333467 0.000306577660943 0.000050433943665 -0.318183687114581 -0.001556945727390
1 -0.000000000000000 0.308295418936790 0.000073175889496 -0.000462576578605 -0.277320095849183
2 0.000000000000000 0.000000000000000 0.371007063266953 -0.010886667190544 0.016623320760043
3 -0.299718172746006 -0.001436240402756 -0.008984724182633 1.688260049437391 0.005757846815323
4 -0.001520897091998 -0.252736266682885 0.016171456190726 0.005995455172407 1.289690928383917
5 0.000929437548044 0.006074943011113 -0.244270358413801 -0.021828399121030 -0.032868192221685
6 -0.024535706566891 -0.002833857676679 -0.003114835668961 0.404492949573959 0.025717144364827
7 -0.002902151439153 0.014442820441633 0.000298974864923 0.012193817165429 0.170076560834654
8 0.009673994868275 0.002106704226987 -0.013587344063205 -0.046270564294307 0.007048433984947
9 -0.034792056691795 -0.002105196369105 0.001035775122477 0.132272980950728 0.003402855143045
10 -0.004120880865273 0.037826777753943 -0.001568978269621 0.025868880842127 -0.161342258779619
11 -0.001575438473204 -0.007624768976767 0.042542891969297 0.013188833362436 0.037071239872568
12 -0.026114950972727 -0.003340445985572 -0.006930321759436 0.188882792704741 0.026692516385598
13 -0.003600912696440 0.008282506124465 0.000193874487246 0.033174004368518 -0.090856534788761
14 -0.007181408309910 0.000573842160187 -0.004675220086707 0.043599375813839 0.005211307386988
5 6 7 8 9
0 0.000694553321658 -0.023534221416565 -0.003324376665100 0.011339489904660 -0.035021219919570
1 0.005612129464447 -0.004415925393421 0.018381680953146 0.003699790135994 -0.003840130626909
2 -0.267486330429720 -0.002235909826695 -0.000614028647279 -0.017300484857411 0.003050979576058
3 -0.021966448808971 0.397017406122317 0.012837718801958 -0.046934335196566 0.133498363324441
4 -0.033032102959648 0.026046997379311 0.166122955661329 0.007223440116316 0.003873737272822
5 1.360947111868654 0.030397525079416 -0.012030446181927 -0.160785898514004 -0.015873964672137
6 0.030860676006527 1.037372277609788 -0.030035561319416 0.013529605691711 -0.533891277279130
7 -0.011259809331177 -0.030524417892996 1.136639695252982 0.128725584300394 -0.047584321668039
8 -0.165375500500898 0.013354175770092 0.128476686501225 1.124457735142912 -0.024532713159349
9 -0.015623243699260 -0.532361238440534 -0.047101262639220 -0.023534748859036 0.955738109262282
10 -0.002384048383152 -0.001719706694494 0.251127955602593 -0.004795083199245 0.015757508374509
11 -0.178542416094912 -0.005938040156103 -0.023061129677334 -0.278544765592282 0.020523505353091
12 0.026854832349933 0.158710775461897 0.031956326290408 0.006299390135292 0.425523042730931
13 -0.022386704132947 0.064268719731963 -0.204317788317128 0.039233880920209 -0.012799794986999
14 0.077910001817269 -0.018342557175638 0.006715202015487 -0.178945407298781 0.090791142501576
10 11 12 13 14
0 -0.002800753777955 -0.000390942345706 -0.027547608659944 -0.005473883988918 -0.006662323778125
1 0.044367810202119 -0.010241731186339 -0.003654170068792 0.007814911765467 -0.000117863552186
2 -0.003545837937918 0.048751617665196 -0.008475121665033 0.000696103527245 -0.005562457487975
3 0.024422340584729 0.013287930406086 0.187257446805473 0.034322294161863 0.045801273330567
4 -0.161186220698090 0.037205043528211 0.025405209488574 -0.087456910307340 0.007995724467804
5 -0.001579329251392 -0.177317732123349 0.028312728143053 -0.023443072884993 0.075670075064796
6 -0.002186747878456 -0.007384132308134 0.158649664467194 0.064757470109729 -0.020730512130086
7 0.251651324699910 -0.022155548346066 0.030437599114599 -0.204097373916259 0.008145219569919
8 -0.005608240462846 -0.278975613647629 0.006736961391499 0.039255291801739 -0.177716786674490
9 0.016971385297803 0.020026768007580 0.427706961989992 -0.013261139317197 0.089605993076640
10 1.114317823254510 -0.109289479404642 0.002664298692013 0.319247509595947 0.094445878011337
11 -0.109637126601914 1.194969065310894 0.057573888404605 -0.018943941788915 -0.292869197066370
12 0.001355810578766 0.057342939800190 1.237424111251944 0.013328984396485 0.089954789196389
13 0.320664205757259 -0.017886768524020 0.012822269202871 1.108981429534547 0.085530984848941
14 0.093236740470143 -0.293974736363371 0.090331200223861 0.085102501682289 1.042853176591056
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0243915036592
Norm of residual vector 0 after precondition 0.0243915036592
1 0.1248811748 -2.02e-03 2.44e-02 N
Norm of residual vector af preconditioning 0.0144495834651
Norm of residual vector 1 before precondition 0.1481120373272
Norm of residual vector 1 after precondition 0.1481120373272
2 0.2265956652 -1.04e-02 1.48e-01 N
Norm of residual vector af preconditioning 0.0956122244007
Norm of residual vector 2 before precondition 0.0641857738372
Norm of residual vector 2 after precondition 0.0641857738372
3 0.2383630473 -6.55e-02 6.42e-02 N
Norm of residual vector af preconditioning 0.0417971580117
Iter=6 L=18 resetting norm
SigmaSS, D(norm sigma)= 0.5808940990
FSD , D(norm sigma)= 0.0000277754
WamefSD, D(norm sigma)= 0.0060902226
WmnieSD, D(norm sigma)= 0.0057723302
WmaijDS, D(norm sigma)= 0.0127979244
WabejDS, D(norm sigma)= -0.0019309420
WnmjeDS, D(norm sigma)= 0.0001038330
WbmfeDS, D(norm sigma)= 0.0000348510
Fbe_FDD , D(norm sigma)= 0.6507251412
Fmj_DD, D(norm sigma)= 0.7648128140
WmnijDD, D(norm sigma)= 0.3863788821
WabefDD, D(norm sigma)= 0.2807112585
WmbejDD, D(norm sigma)= -1.0449632369
WmnefDD XAF, D(norm sigma)= 0.0017244528
WmnefDD XLI, D(norm sigma)= 0.0002724095
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3099858573
FSD , D(norm sigma)= 0.0000614290
WamefSD, D(norm sigma)= -0.0084951234
WmnieSD, D(norm sigma)= 0.0020828735
WmaijDS, D(norm sigma)= 0.0313294623
WabejDS, D(norm sigma)= 0.0037898926
WnmjeDS, D(norm sigma)= 0.0000462287
WbmfeDS, D(norm sigma)= 0.0000900810
Fbe_FDD , D(norm sigma)= 0.5592643715
Fmj_DD, D(norm sigma)= 0.7411907771
WmnijDD, D(norm sigma)= 0.3716471748
WabefDD, D(norm sigma)= 0.2790533800
WmbejDD, D(norm sigma)= -1.1005704509
WmnefDD XAF, D(norm sigma)= 0.0006632061
WmnefDD XLI, D(norm sigma)= 0.0000466883
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2763460672
FSD , D(norm sigma)= -0.0000356679
WamefSD, D(norm sigma)= 0.0058872991
WmnieSD, D(norm sigma)= 0.0028286818
WmaijDS, D(norm sigma)= 0.0244596837
WabejDS, D(norm sigma)= 0.0070043278
WnmjeDS, D(norm sigma)= 0.0001064829
WbmfeDS, D(norm sigma)= -0.0000574423
Fbe_FDD , D(norm sigma)= 0.6152009705
Fmj_DD, D(norm sigma)= 0.8519687879
WmnijDD, D(norm sigma)= 0.4102867503
WabefDD, D(norm sigma)= 0.2434122246
WmbejDD, D(norm sigma)= -0.9568142832
WmnefDD XAF, D(norm sigma)= 0.0009909149
WmnefDD XLI, D(norm sigma)= 0.0001969556
resetting norm
The G Matrix
0 1 2 3 4
0 0.194100936333467 0.000306577660943 0.000050433943665 -0.318183687114581 -0.001556945727390
1 -0.000000000000000 0.308295418936790 0.000073175889496 -0.000462576578605 -0.277320095849183
2 0.000000000000000 0.000000000000000 0.371007063266953 -0.010886667190544 0.016623320760043
3 -0.299718172746006 -0.001436240402756 -0.008984724182633 1.688260049437391 0.005757846815323
4 -0.001520897091998 -0.252736266682885 0.016171456190726 0.005995455172407 1.289690928383917
5 0.000929437548044 0.006074943011113 -0.244270358413801 -0.021828399121030 -0.032868192221685
6 -0.024535706566891 -0.002833857676679 -0.003114835668961 0.404492949573959 0.025717144364827
7 -0.002902151439153 0.014442820441633 0.000298974864923 0.012193817165429 0.170076560834654
8 0.009673994868275 0.002106704226987 -0.013587344063205 -0.046270564294307 0.007048433984947
9 -0.034792056691795 -0.002105196369105 0.001035775122477 0.132272980950728 0.003402855143045
10 -0.004120880865273 0.037826777753943 -0.001568978269621 0.025868880842127 -0.161342258779619
11 -0.001575438473204 -0.007624768976767 0.042542891969297 0.013188833362436 0.037071239872568
12 -0.026114950972727 -0.003340445985572 -0.006930321759436 0.188882792704741 0.026692516385598
13 -0.003600912696440 0.008282506124465 0.000193874487246 0.033174004368518 -0.090856534788761
14 -0.007181408309910 0.000573842160187 -0.004675220086707 0.043599375813839 0.005211307386988
15 0.018066342169160 -0.002432957159644 0.006260760016775 -0.148965288973393 0.003069942582448
16 0.004425908342980 0.003474400242582 0.007407334701752 -0.037193486097294 -0.003246478903269
17 -0.001078695026997 0.019022428793271 -0.004807909202829 0.006265654694236 -0.065807377238702
5 6 7 8 9
0 0.000694553321658 -0.023534221416565 -0.003324376665100 0.011339489904660 -0.035021219919570
1 0.005612129464447 -0.004415925393421 0.018381680953146 0.003699790135994 -0.003840130626909
2 -0.267486330429720 -0.002235909826695 -0.000614028647279 -0.017300484857411 0.003050979576058
3 -0.021966448808971 0.397017406122317 0.012837718801958 -0.046934335196566 0.133498363324441
4 -0.033032102959648 0.026046997379311 0.166122955661329 0.007223440116316 0.003873737272822
5 1.360947111868654 0.030397525079416 -0.012030446181927 -0.160785898514004 -0.015873964672137
6 0.030860676006527 1.037372277609788 -0.030035561319416 0.013529605691711 -0.533891277279130
7 -0.011259809331177 -0.030524417892996 1.136639695252982 0.128725584300394 -0.047584321668039
8 -0.165375500500898 0.013354175770092 0.128476686501225 1.124457735142912 -0.024532713159349
9 -0.015623243699260 -0.532361238440534 -0.047101262639220 -0.023534748859036 0.955738109262282
10 -0.002384048383152 -0.001719706694494 0.251127955602593 -0.004795083199245 0.015757508374509
11 -0.178542416094912 -0.005938040156103 -0.023061129677334 -0.278544765592282 0.020523505353091
12 0.026854832349933 0.158710775461897 0.031956326290408 0.006299390135292 0.425523042730931
13 -0.022386704132947 0.064268719731963 -0.204317788317128 0.039233880920209 -0.012799794986999
14 0.077910001817269 -0.018342557175638 0.006715202015487 -0.178945407298781 0.090791142501576
15 -0.033552477659694 -0.278047366031875 -0.015768746542803 0.013055920010167 0.202976101076564
16 -0.006692677778815 0.028666014448737 0.063843044233837 -0.095448126969656 -0.113492009812872
17 0.011733337346996 -0.028980193159376 0.098623871958243 0.036046817913543 0.065160093572564
10 11 12 13 14
0 -0.002800753777955 -0.000390942345706 -0.027547608659944 -0.005473883988918 -0.006662323778125
1 0.044367810202119 -0.010241731186339 -0.003654170068792 0.007814911765467 -0.000117863552186
2 -0.003545837937918 0.048751617665196 -0.008475121665033 0.000696103527245 -0.005562457487975
3 0.024422340584729 0.013287930406086 0.187257446805473 0.034322294161863 0.045801273330567
4 -0.161186220698090 0.037205043528211 0.025405209488574 -0.087456910307340 0.007995724467804
5 -0.001579329251392 -0.177317732123349 0.028312728143053 -0.023443072884993 0.075670075064796
6 -0.002186747878456 -0.007384132308134 0.158649664467194 0.064757470109729 -0.020730512130086
7 0.251651324699910 -0.022155548346066 0.030437599114599 -0.204097373916259 0.008145219569919
8 -0.005608240462846 -0.278975613647629 0.006736961391499 0.039255291801739 -0.177716786674490
9 0.016971385297803 0.020026768007580 0.427706961989992 -0.013261139317197 0.089605993076640
10 1.114317823254510 -0.109289479404642 0.002664298692013 0.319247509595947 0.094445878011337
11 -0.109637126601914 1.194969065310894 0.057573888404605 -0.018943941788915 -0.292869197066370
12 0.001355810578766 0.057342939800190 1.237424111251944 0.013328984396485 0.089954789196389
13 0.320664205757259 -0.017886768524020 0.012822269202871 1.108981429534547 0.085530984848941
14 0.093236740470143 -0.293974736363371 0.090331200223861 0.085102501682289 1.042853176591056
15 0.004684951368253 0.018799023391413 -0.419511717476543 -0.020961093385943 0.068241239915845
16 0.012289865270075 -0.071889422536875 -0.092834194910589 -0.087204117809036 0.079263369965594
17 0.166106353763545 -0.027836968661318 0.059872316016066 -0.341454164584917 -0.144183168830894
15 16 17
0 0.019796774600438 0.004549513812837 -0.001382685546489
1 -0.002969981584930 0.004438158607260 0.021855223113620
2 0.005673475988019 0.010481922971193 -0.005037950558058
3 -0.146583957543570 -0.036923331227078 0.008068440931839
4 0.003713244886419 -0.002378133234757 -0.064904966168255
5 -0.033161992248049 -0.007849390393472 0.010894211082335
6 -0.278810277629651 0.029601499398036 -0.030472509919028
7 -0.015374779101676 0.064527773403635 0.098273310938914
8 0.013976728804945 -0.095584552708960 0.036413434690940
9 0.203115755998430 -0.113109060278659 0.063214910708784
10 0.004971824470414 0.013093119647262 0.163941381373564
11 0.018865391196404 -0.070993131500647 -0.026771944775822
12 -0.418874288496021 -0.093240041985573 0.060090757488700
13 -0.020169165953986 -0.087561924055905 -0.341826879645942
14 0.071484644968660 0.079636852169673 -0.143749169596291
15 1.316154925470086 0.012295492812520 0.040603262237646
16 0.009545680158780 0.991597900031015 0.003703465397125
17 0.042488556141640 0.005119648168098 1.252491022466186
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0128819694516
Norm of residual vector 0 after precondition 0.0128819694516
1 0.1241141250 -7.67e-04 1.29e-02 N
Norm of residual vector af preconditioning 0.0079719635874
Norm of residual vector 1 before precondition 0.0719838681958
Norm of residual vector 1 after precondition 0.0719838681958
2 0.2038930219 -2.27e-02 7.20e-02 N
Norm of residual vector af preconditioning 0.0489997183429
Norm of residual vector 2 before precondition 0.0108306584281
Norm of residual vector 2 after precondition 0.0108306584281
3 0.2373471947 -1.02e-03 1.08e-02 N
Norm of residual vector af preconditioning 0.0077681605569
Iter=7 L=21 resetting norm
SigmaSS, D(norm sigma)= 0.4049673678
FSD , D(norm sigma)= -0.0000950500
WamefSD, D(norm sigma)= 0.0376930471
WmnieSD, D(norm sigma)= -0.0165790026
WmaijDS, D(norm sigma)= 0.0160595808
WabejDS, D(norm sigma)= 0.0056707867
WnmjeDS, D(norm sigma)= 0.0001092000
WbmfeDS, D(norm sigma)= 0.0002126357
Fbe_FDD , D(norm sigma)= 0.8379278567
Fmj_DD, D(norm sigma)= 0.7877466332
WmnijDD, D(norm sigma)= 0.4037454620
WabefDD, D(norm sigma)= 0.2893622681
WmbejDD, D(norm sigma)= -1.0272703966
WmnefDD XAF, D(norm sigma)= 0.0021942045
WmnefDD XLI, D(norm sigma)= 0.0001487085
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2472001123
FSD , D(norm sigma)= 0.0000358394
WamefSD, D(norm sigma)= 0.0038641874
WmnieSD, D(norm sigma)= 0.0519265076
WmaijDS, D(norm sigma)= 0.0200855583
WabejDS, D(norm sigma)= 0.0005183463
WnmjeDS, D(norm sigma)= 0.0000296117
WbmfeDS, D(norm sigma)= 0.0000023504
Fbe_FDD , D(norm sigma)= 0.5568305234
Fmj_DD, D(norm sigma)= 0.8331523980
WmnijDD, D(norm sigma)= 0.4182653275
WabefDD, D(norm sigma)= 0.2575451065
WmbejDD, D(norm sigma)= -1.0849709525
WmnefDD XAF, D(norm sigma)= 0.0022889340
WmnefDD XLI, D(norm sigma)= 0.0001607926
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3272433991
FSD , D(norm sigma)= -0.0000381515
WamefSD, D(norm sigma)= -0.0050998223
WmnieSD, D(norm sigma)= 0.0162996880
WmaijDS, D(norm sigma)= 0.0155860406
WabejDS, D(norm sigma)= 0.0030530658
WnmjeDS, D(norm sigma)= -0.0000293113
WbmfeDS, D(norm sigma)= -0.0000346948
Fbe_FDD , D(norm sigma)= 0.6013126406
Fmj_DD, D(norm sigma)= 0.9172594994
WmnijDD, D(norm sigma)= 0.4150175501
WabefDD, D(norm sigma)= 0.2342952362
WmbejDD, D(norm sigma)= -1.0395531620
WmnefDD XAF, D(norm sigma)= 0.0013187886
WmnefDD XLI, D(norm sigma)= 0.0000742147
resetting norm
The G Matrix
0 1 2 3 4
0 0.194100936333467 0.000306577660943 0.000050433943665 -0.318183687114581 -0.001556945727390
1 -0.000000000000000 0.308295418936790 0.000073175889496 -0.000462576578605 -0.277320095849183
2 0.000000000000000 0.000000000000000 0.371007063266953 -0.010886667190544 0.016623320760043
3 -0.299718172746006 -0.001436240402756 -0.008984724182633 1.688260049437391 0.005757846815323
4 -0.001520897091998 -0.252736266682885 0.016171456190726 0.005995455172407 1.289690928383917
5 0.000929437548044 0.006074943011113 -0.244270358413801 -0.021828399121030 -0.032868192221685
6 -0.024535706566891 -0.002833857676679 -0.003114835668961 0.404492949573959 0.025717144364827
7 -0.002902151439153 0.014442820441633 0.000298974864923 0.012193817165429 0.170076560834654
8 0.009673994868275 0.002106704226987 -0.013587344063205 -0.046270564294307 0.007048433984947
9 -0.034792056691795 -0.002105196369105 0.001035775122477 0.132272980950728 0.003402855143045
10 -0.004120880865273 0.037826777753943 -0.001568978269621 0.025868880842127 -0.161342258779619
11 -0.001575438473204 -0.007624768976767 0.042542891969297 0.013188833362436 0.037071239872568
12 -0.026114950972727 -0.003340445985572 -0.006930321759436 0.188882792704741 0.026692516385598
13 -0.003600912696440 0.008282506124465 0.000193874487246 0.033174004368518 -0.090856534788761
14 -0.007181408309910 0.000573842160187 -0.004675220086707 0.043599375813839 0.005211307386988
15 0.018066342169160 -0.002432957159644 0.006260760016775 -0.148965288973393 0.003069942582448
16 0.004425908342980 0.003474400242582 0.007407334701752 -0.037193486097294 -0.003246478903269
17 -0.001078695026997 0.019022428793271 -0.004807909202829 0.006265654694236 -0.065807377238702
18 0.020198801417722 0.002670651925083 0.002006616853969 -0.096317078737271 -0.012404959435748
19 0.011152794223415 -0.000750462464040 -0.011399310668426 -0.060773837584305 -0.001411614915959
20 0.006302958385319 0.006880384882100 0.003146819399809 -0.031316249619733 -0.053589400968123
5 6 7 8 9
0 0.000694553321658 -0.023534221416565 -0.003324376665100 0.011339489904660 -0.035021219919570
1 0.005612129464447 -0.004415925393421 0.018381680953146 0.003699790135994 -0.003840130626909
2 -0.267486330429720 -0.002235909826695 -0.000614028647279 -0.017300484857411 0.003050979576058
3 -0.021966448808971 0.397017406122317 0.012837718801958 -0.046934335196566 0.133498363324441
4 -0.033032102959648 0.026046997379311 0.166122955661329 0.007223440116316 0.003873737272822
5 1.360947111868654 0.030397525079416 -0.012030446181927 -0.160785898514004 -0.015873964672137
6 0.030860676006527 1.037372277609788 -0.030035561319416 0.013529605691711 -0.533891277279130
7 -0.011259809331177 -0.030524417892996 1.136639695252982 0.128725584300394 -0.047584321668039
8 -0.165375500500898 0.013354175770092 0.128476686501225 1.124457735142912 -0.024532713159349
9 -0.015623243699260 -0.532361238440534 -0.047101262639220 -0.023534748859036 0.955738109262282
10 -0.002384048383152 -0.001719706694494 0.251127955602593 -0.004795083199245 0.015757508374509
11 -0.178542416094912 -0.005938040156103 -0.023061129677334 -0.278544765592282 0.020523505353091
12 0.026854832349933 0.158710775461897 0.031956326290408 0.006299390135292 0.425523042730931
13 -0.022386704132947 0.064268719731963 -0.204317788317128 0.039233880920209 -0.012799794986999
14 0.077910001817269 -0.018342557175638 0.006715202015487 -0.178945407298781 0.090791142501576
15 -0.033552477659694 -0.278047366031875 -0.015768746542803 0.013055920010167 0.202976101076564
16 -0.006692677778815 0.028666014448737 0.063843044233837 -0.095448126969656 -0.113492009812872
17 0.011733337346996 -0.028980193159376 0.098623871958243 0.036046817913543 0.065160093572564
18 0.005272599473788 0.066035746761473 -0.002612807222971 -0.033798984901224 -0.228443229732953
19 0.043739218459100 -0.024484660919324 -0.028095911646765 0.063856892753530 0.023126751949127
20 -0.011444479912944 -0.008393660678166 -0.096314435053220 -0.006292756205719 0.022448102613402
10 11 12 13 14
0 -0.002800753777955 -0.000390942345706 -0.027547608659944 -0.005473883988918 -0.006662323778125
1 0.044367810202119 -0.010241731186339 -0.003654170068792 0.007814911765467 -0.000117863552186
2 -0.003545837937918 0.048751617665196 -0.008475121665033 0.000696103527245 -0.005562457487975
3 0.024422340584729 0.013287930406086 0.187257446805473 0.034322294161863 0.045801273330567
4 -0.161186220698090 0.037205043528211 0.025405209488574 -0.087456910307340 0.007995724467804
5 -0.001579329251392 -0.177317732123349 0.028312728143053 -0.023443072884993 0.075670075064796
6 -0.002186747878456 -0.007384132308134 0.158649664467194 0.064757470109729 -0.020730512130086
7 0.251651324699910 -0.022155548346066 0.030437599114599 -0.204097373916259 0.008145219569919
8 -0.005608240462846 -0.278975613647629 0.006736961391499 0.039255291801739 -0.177716786674490
9 0.016971385297803 0.020026768007580 0.427706961989992 -0.013261139317197 0.089605993076640
10 1.114317823254510 -0.109289479404642 0.002664298692013 0.319247509595947 0.094445878011337
11 -0.109637126601914 1.194969065310894 0.057573888404605 -0.018943941788915 -0.292869197066370
12 0.001355810578766 0.057342939800190 1.237424111251944 0.013328984396485 0.089954789196389
13 0.320664205757259 -0.017886768524020 0.012822269202871 1.108981429534547 0.085530984848941
14 0.093236740470143 -0.293974736363371 0.090331200223861 0.085102501682289 1.042853176591056
15 0.004684951368253 0.018799023391413 -0.419511717476543 -0.020961093385943 0.068241239915845
16 0.012289865270075 -0.071889422536875 -0.092834194910589 -0.087204117809036 0.079263369965594
17 0.166106353763545 -0.027836968661318 0.059872316016066 -0.341454164584917 -0.144183168830894
18 0.012232314678739 -0.012396750958446 -0.239891808132255 -0.006261650224874 0.018438515404552
19 -0.061029727335803 -0.087477321306985 -0.021421626327680 -0.007045015962638 -0.123773344371094
20 0.075671737195753 -0.038120872620823 0.018983678771750 0.171721381381104 0.078822265683834
15 16 17 18 19
0 0.019796774600438 0.004549513812837 -0.001382685546489 0.021261024963743 0.010217475942387
1 -0.002969981584930 0.004438158607260 0.021855223113620 0.003233326201746 -0.001210178214676
2 0.005673475988019 0.010481922971193 -0.005037950558058 0.001126799926156 -0.011616123963682
3 -0.146583957543570 -0.036923331227078 0.008068440931839 -0.095132233606507 -0.060274707389885
4 0.003713244886419 -0.002378133234757 -0.064904966168255 -0.011558942555302 -0.001004470150518
5 -0.033161992248049 -0.007849390393472 0.010894211082335 0.004176722049416 0.043474320266302
6 -0.278810277629651 0.029601499398036 -0.030472509919028 0.070424162708050 -0.025661716136823
7 -0.015374779101676 0.064527773403635 0.098273310938914 -0.002783249159549 -0.028719711338777
8 0.013976728804945 -0.095584552708960 0.036413434690940 -0.032390058912143 0.064100863355285
9 0.203115755998430 -0.113109060278659 0.063214910708784 -0.228851695237582 0.020224974774810
10 0.004971824470414 0.013093119647262 0.163941381373564 0.013289404135866 -0.061087437715631
11 0.018865391196404 -0.070993131500647 -0.026771944775822 -0.011109179632336 -0.086311929424496
12 -0.418874288496021 -0.093240041985573 0.060090757488700 -0.239715496985044 -0.023090898773387
13 -0.020169165953986 -0.087561924055905 -0.341826879645942 -0.008512219360042 -0.008521862207410
14 0.071484644968660 0.079636852169673 -0.143749169596291 0.017728566359802 -0.121700123365940
15 1.316154925470086 0.012295492812520 0.040603262237646 -0.451509195043577 0.069283992626744
16 0.009545680158780 0.991597900031015 0.003703465397125 -0.061148423385335 -0.209476324219493
17 0.042488556141640 0.005119648168098 1.252491022466186 -0.037038221432198 -0.044125861243397
18 -0.453605638157581 -0.060866429469763 -0.036747509881828 1.332300578554835 0.123081845455875
19 0.071532845180269 -0.205793220922343 -0.044329344917053 0.126113704615810 1.095898910467777
20 0.008759934269825 0.008150069176231 0.346352085182431 0.051520518136293 -0.016423814194625
20
0 0.006997224632518
1 0.007307361097453
2 0.003566370402071
3 -0.031703095563640
4 -0.053963570525785
5 -0.010597732896514
6 -0.009033851317933
7 -0.097046246106241
8 -0.006150395049679
9 0.022352722931888
10 0.074045903803767
11 -0.037147767292211
12 0.018094781123491
13 0.171172888704621
14 0.080296386216457
15 0.008368411119004
16 0.006913733054389
17 0.348323677653153
18 0.050146993737375
19 -0.016242251272405
20 1.260794221421254
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0056187348106
Norm of residual vector 0 after precondition 0.0056187348106
1 0.1239245734 -1.90e-04 5.62e-03 N
Norm of residual vector af preconditioning 0.0030956517313
Norm of residual vector 1 before precondition 0.0346733412223
Norm of residual vector 1 after precondition 0.0346733412223
2 0.1982464905 -5.65e-03 3.47e-02 N
Norm of residual vector af preconditioning 0.0200101994673
Norm of residual vector 2 before precondition 0.0050604254111
Norm of residual vector 2 after precondition 0.0050604254111
3 0.2372563834 -9.08e-05 5.06e-03 N
Norm of residual vector af preconditioning 0.0030012127541
Iter=8 L=24 resetting norm
SigmaSS, D(norm sigma)= 0.4988196291
FSD , D(norm sigma)= 0.0001004449
WamefSD, D(norm sigma)= 0.0067595645
WmnieSD, D(norm sigma)= 0.0048582475
WmaijDS, D(norm sigma)= 0.0124303278
WabejDS, D(norm sigma)= 0.0022266645
WnmjeDS, D(norm sigma)= -0.0000036216
WbmfeDS, D(norm sigma)= -0.0000719950
Fbe_FDD , D(norm sigma)= 0.7388626127
Fmj_DD, D(norm sigma)= 0.7892101094
WmnijDD, D(norm sigma)= 0.4038667518
WabefDD, D(norm sigma)= 0.2649838554
WmbejDD, D(norm sigma)= -0.9759071628
WmnefDD XAF, D(norm sigma)= 0.0012033134
WmnefDD XLI, D(norm sigma)= 0.0002018955
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2217233279
FSD , D(norm sigma)= -0.0000639151
WamefSD, D(norm sigma)= 0.0137440453
WmnieSD, D(norm sigma)= 0.0236993291
WmaijDS, D(norm sigma)= 0.0064612585
WabejDS, D(norm sigma)= 0.0009107592
WnmjeDS, D(norm sigma)= -0.0000026218
WbmfeDS, D(norm sigma)= 0.0000085651
Fbe_FDD , D(norm sigma)= 0.6265773122
Fmj_DD, D(norm sigma)= 0.9470250701
WmnijDD, D(norm sigma)= 0.4473757494
WabefDD, D(norm sigma)= 0.2494288112
WmbejDD, D(norm sigma)= -1.1360132561
WmnefDD XAF, D(norm sigma)= 0.0029519981
WmnefDD XLI, D(norm sigma)= 0.0000476714
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2776398133
FSD , D(norm sigma)= 0.0000125272
WamefSD, D(norm sigma)= 0.0046010093
WmnieSD, D(norm sigma)= 0.0254328476
WmaijDS, D(norm sigma)= 0.0129593590
WabejDS, D(norm sigma)= 0.0004965802
WnmjeDS, D(norm sigma)= 0.0000000358
WbmfeDS, D(norm sigma)= -0.0000025499
Fbe_FDD , D(norm sigma)= 0.6374302227
Fmj_DD, D(norm sigma)= 0.9432987916
WmnijDD, D(norm sigma)= 0.4176753121
WabefDD, D(norm sigma)= 0.2450047997
WmbejDD, D(norm sigma)= -1.0949128536
WmnefDD XAF, D(norm sigma)= 0.0009269969
WmnefDD XLI, D(norm sigma)= 0.0004936856
resetting norm
The G Matrix
0 1 2 3 4
0 0.194100936333467 0.000306577660943 0.000050433943665 -0.318183687114581 -0.001556945727390
1 -0.000000000000000 0.308295418936790 0.000073175889496 -0.000462576578605 -0.277320095849183
2 0.000000000000000 0.000000000000000 0.371007063266953 -0.010886667190544 0.016623320760043
3 -0.299718172746006 -0.001436240402756 -0.008984724182633 1.688260049437391 0.005757846815323
4 -0.001520897091998 -0.252736266682885 0.016171456190726 0.005995455172407 1.289690928383917
5 0.000929437548044 0.006074943011113 -0.244270358413801 -0.021828399121030 -0.032868192221685
6 -0.024535706566891 -0.002833857676679 -0.003114835668961 0.404492949573959 0.025717144364827
7 -0.002902151439153 0.014442820441633 0.000298974864923 0.012193817165429 0.170076560834654
8 0.009673994868275 0.002106704226987 -0.013587344063205 -0.046270564294307 0.007048433984947
9 -0.034792056691795 -0.002105196369105 0.001035775122477 0.132272980950728 0.003402855143045
10 -0.004120880865273 0.037826777753943 -0.001568978269621 0.025868880842127 -0.161342258779619
11 -0.001575438473204 -0.007624768976767 0.042542891969297 0.013188833362436 0.037071239872568
12 -0.026114950972727 -0.003340445985572 -0.006930321759436 0.188882792704741 0.026692516385598
13 -0.003600912696440 0.008282506124465 0.000193874487246 0.033174004368518 -0.090856534788761
14 -0.007181408309910 0.000573842160187 -0.004675220086707 0.043599375813839 0.005211307386988
15 0.018066342169160 -0.002432957159644 0.006260760016775 -0.148965288973393 0.003069942582448
16 0.004425908342980 0.003474400242582 0.007407334701752 -0.037193486097294 -0.003246478903269
17 -0.001078695026997 0.019022428793271 -0.004807909202829 0.006265654694236 -0.065807377238702
18 0.020198801417722 0.002670651925083 0.002006616853969 -0.096317078737271 -0.012404959435748
19 0.011152794223415 -0.000750462464040 -0.011399310668426 -0.060773837584305 -0.001411614915959
20 0.006302958385319 0.006880384882100 0.003146819399809 -0.031316249619733 -0.053589400968123
21 0.000862960298177 -0.000297515388671 0.004964412026118 -0.034900057038764 -0.001747227706983
22 0.016113903890164 -0.000498378911640 0.002109583207340 -0.096199866287397 0.003123457186457
23 0.000861851676937 0.002908678899946 -0.002491085646391 -0.010551365718923 -0.018748575507809
5 6 7 8 9
0 0.000694553321658 -0.023534221416565 -0.003324376665100 0.011339489904660 -0.035021219919570
1 0.005612129464447 -0.004415925393421 0.018381680953146 0.003699790135994 -0.003840130626909
2 -0.267486330429720 -0.002235909826695 -0.000614028647279 -0.017300484857411 0.003050979576058
3 -0.021966448808971 0.397017406122317 0.012837718801958 -0.046934335196566 0.133498363324441
4 -0.033032102959648 0.026046997379311 0.166122955661329 0.007223440116316 0.003873737272822
5 1.360947111868654 0.030397525079416 -0.012030446181927 -0.160785898514004 -0.015873964672137
6 0.030860676006527 1.037372277609788 -0.030035561319416 0.013529605691711 -0.533891277279130
7 -0.011259809331177 -0.030524417892996 1.136639695252982 0.128725584300394 -0.047584321668039
8 -0.165375500500898 0.013354175770092 0.128476686501225 1.124457735142912 -0.024532713159349
9 -0.015623243699260 -0.532361238440534 -0.047101262639220 -0.023534748859036 0.955738109262282
10 -0.002384048383152 -0.001719706694494 0.251127955602593 -0.004795083199245 0.015757508374509
11 -0.178542416094912 -0.005938040156103 -0.023061129677334 -0.278544765592282 0.020523505353091
12 0.026854832349933 0.158710775461897 0.031956326290408 0.006299390135292 0.425523042730931
13 -0.022386704132947 0.064268719731963 -0.204317788317128 0.039233880920209 -0.012799794986999
14 0.077910001817269 -0.018342557175638 0.006715202015487 -0.178945407298781 0.090791142501576
15 -0.033552477659694 -0.278047366031875 -0.015768746542803 0.013055920010167 0.202976101076564
16 -0.006692677778815 0.028666014448737 0.063843044233837 -0.095448126969656 -0.113492009812872
17 0.011733337346996 -0.028980193159376 0.098623871958243 0.036046817913543 0.065160093572564
18 0.005272599473788 0.066035746761473 -0.002612807222971 -0.033798984901224 -0.228443229732953
19 0.043739218459100 -0.024484660919324 -0.028095911646765 0.063856892753530 0.023126751949127
20 -0.011444479912944 -0.008393660678166 -0.096314435053220 -0.006292756205719 0.022448102613402
21 -0.021907886447960 -0.113166180342105 0.001027785147529 -0.010402839973210 0.047785926606316
22 0.004035100147860 -0.070515891470109 0.006056958660623 -0.038583357209132 0.041425397229221
23 0.009259384575069 -0.022805106367319 -0.041562524369435 0.001197047661682 0.024473534952457
10 11 12 13 14
0 -0.002800753777955 -0.000390942345706 -0.027547608659944 -0.005473883988918 -0.006662323778125
1 0.044367810202119 -0.010241731186339 -0.003654170068792 0.007814911765467 -0.000117863552186
2 -0.003545837937918 0.048751617665196 -0.008475121665033 0.000696103527245 -0.005562457487975
3 0.024422340584729 0.013287930406086 0.187257446805473 0.034322294161863 0.045801273330567
4 -0.161186220698090 0.037205043528211 0.025405209488574 -0.087456910307340 0.007995724467804
5 -0.001579329251392 -0.177317732123349 0.028312728143053 -0.023443072884993 0.075670075064796
6 -0.002186747878456 -0.007384132308134 0.158649664467194 0.064757470109729 -0.020730512130086
7 0.251651324699910 -0.022155548346066 0.030437599114599 -0.204097373916259 0.008145219569919
8 -0.005608240462846 -0.278975613647629 0.006736961391499 0.039255291801739 -0.177716786674490
9 0.016971385297803 0.020026768007580 0.427706961989992 -0.013261139317197 0.089605993076640
10 1.114317823254510 -0.109289479404642 0.002664298692013 0.319247509595947 0.094445878011337
11 -0.109637126601914 1.194969065310894 0.057573888404605 -0.018943941788915 -0.292869197066370
12 0.001355810578766 0.057342939800190 1.237424111251944 0.013328984396485 0.089954789196389
13 0.320664205757259 -0.017886768524020 0.012822269202871 1.108981429534547 0.085530984848941
14 0.093236740470143 -0.293974736363371 0.090331200223861 0.085102501682289 1.042853176591056
15 0.004684951368253 0.018799023391413 -0.419511717476543 -0.020961093385943 0.068241239915845
16 0.012289865270075 -0.071889422536875 -0.092834194910589 -0.087204117809036 0.079263369965594
17 0.166106353763545 -0.027836968661318 0.059872316016066 -0.341454164584917 -0.144183168830894
18 0.012232314678739 -0.012396750958446 -0.239891808132255 -0.006261650224874 0.018438515404552
19 -0.061029727335803 -0.087477321306985 -0.021421626327680 -0.007045015962638 -0.123773344371094
20 0.075671737195753 -0.038120872620823 0.018983678771750 0.171721381381104 0.078822265683834
21 0.027078736956825 0.008753166088038 -0.127704034674812 0.033066383207005 -0.025605719273758
22 0.003788533811991 -0.019110312481116 0.002749787051723 -0.036658054712357 0.086816906797796
23 -0.046135713916248 0.005532531190988 0.014066835143304 0.077675500731723 -0.008328019279881
15 16 17 18 19
0 0.019796774600438 0.004549513812837 -0.001382685546489 0.021261024963743 0.010217475942387
1 -0.002969981584930 0.004438158607260 0.021855223113620 0.003233326201746 -0.001210178214676
2 0.005673475988019 0.010481922971193 -0.005037950558058 0.001126799926156 -0.011616123963682
3 -0.146583957543570 -0.036923331227078 0.008068440931839 -0.095132233606507 -0.060274707389885
4 0.003713244886419 -0.002378133234757 -0.064904966168255 -0.011558942555302 -0.001004470150518
5 -0.033161992248049 -0.007849390393472 0.010894211082335 0.004176722049416 0.043474320266302
6 -0.278810277629651 0.029601499398036 -0.030472509919028 0.070424162708050 -0.025661716136823
7 -0.015374779101676 0.064527773403635 0.098273310938914 -0.002783249159549 -0.028719711338777
8 0.013976728804945 -0.095584552708960 0.036413434690940 -0.032390058912143 0.064100863355285
9 0.203115755998430 -0.113109060278659 0.063214910708784 -0.228851695237582 0.020224974774810
10 0.004971824470414 0.013093119647262 0.163941381373564 0.013289404135866 -0.061087437715631
11 0.018865391196404 -0.070993131500647 -0.026771944775822 -0.011109179632336 -0.086311929424496
12 -0.418874288496021 -0.093240041985573 0.060090757488700 -0.239715496985044 -0.023090898773387
13 -0.020169165953986 -0.087561924055905 -0.341826879645942 -0.008512219360042 -0.008521862207410
14 0.071484644968660 0.079636852169673 -0.143749169596291 0.017728566359802 -0.121700123365940
15 1.316154925470086 0.012295492812520 0.040603262237646 -0.451509195043577 0.069283992626744
16 0.009545680158780 0.991597900031015 0.003703465397125 -0.061148423385335 -0.209476324219493
17 0.042488556141640 0.005119648168098 1.252491022466186 -0.037038221432198 -0.044125861243397
18 -0.453605638157581 -0.060866429469763 -0.036747509881828 1.332300578554835 0.123081845455875
19 0.071532845180269 -0.205793220922343 -0.044329344917053 0.126113704615810 1.095898910467777
20 0.008759934269825 0.008150069176231 0.346352085182431 0.051520518136293 -0.016423814194625
21 0.139995264761322 0.034586375544808 -0.023183633969035 0.405480503942849 0.127482220429430
22 0.087086019119800 0.038635488132289 0.041172629934012 -0.090006868638259 0.352941202894045
23 0.003526774015544 0.011358836101807 -0.180842770121353 -0.022442166616829 0.000546182868752
20 21 22 23
0 0.006997224632518 -0.000179578955512 0.018014942480471 0.000112388060655
1 0.007307361097453 0.000741165643024 -0.000982036151900 0.000686383589603
2 0.003566370402071 0.005148675110432 0.001920569570355 -0.002676376124672
3 -0.031703095563640 -0.035787732665785 -0.095278139726144 -0.010131855711637
4 -0.053963570525785 -0.001873808618168 0.002980428429359 -0.017599672483755
5 -0.010597732896514 -0.021172923121221 0.003045440500478 0.009232810050221
6 -0.009033851317933 -0.113114270864338 -0.072874238438417 -0.023363393257699
7 -0.097046246106241 0.002672186375645 0.006183076222925 -0.041714594400510
8 -0.006150395049679 -0.012068666669678 -0.038796461717100 0.001199566521868
9 0.022352722931888 0.051697164066280 0.039522862347859 0.024785707666122
10 0.074045903803767 0.026584767839144 0.004116601258426 -0.046951893424354
11 -0.037147767292211 0.007965063900791 -0.017047455762081 0.005799928786169
12 0.018094781123491 -0.124926736585031 0.000934540268777 0.013734971898091
13 0.171172888704621 0.035049555986077 -0.037432277179092 0.077732394654061
14 0.080296386216457 -0.026685810231596 0.089921578854239 -0.008815707013384
15 0.008368411119004 0.139618124203445 0.086946789767376 0.002963637236031
16 0.006913733054389 0.036262963075692 0.033365170031102 0.009877271745768
17 0.348323677653153 -0.023267407097697 0.043801702993736 -0.181300020336858
18 0.050146993737375 0.405934253683479 -0.092706405165802 -0.021590643743600
19 -0.016242251272405 0.125990779121228 0.356595532526204 0.001247183091851
20 1.260794221421254 -0.048473220599617 0.011392703868338 0.374897045526811
21 -0.048571666205883 1.407360188315143 0.057819810227569 -0.009247203126637
22 0.011173122188634 0.058989759664691 1.209706737710860 0.006137486454594
23 0.373770729421350 -0.008573418905836 0.007091507511336 1.248880355326654
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0019252517721
Norm of residual vector 0 after precondition 0.0019252517721
1 0.1239044107 -2.02e-05 1.93e-03 N
Norm of residual vector af preconditioning 0.0010992310189
Norm of residual vector 1 before precondition 0.0131838750142
Norm of residual vector 1 after precondition 0.0131838750142
2 0.1972490279 -9.97e-04 1.32e-02 N
Norm of residual vector af preconditioning 0.0080438546219
Norm of residual vector 2 before precondition 0.0020699404214
Norm of residual vector 2 after precondition 0.0020699404214
3 0.2372448471 -1.15e-05 2.07e-03 N
Norm of residual vector af preconditioning 0.0013258719421
Iter=9 L=27 resetting norm
SigmaSS, D(norm sigma)= 0.3841311142
FSD , D(norm sigma)= 0.0000249814
WamefSD, D(norm sigma)= 0.0170111812
WmnieSD, D(norm sigma)= 0.0072427327
WmaijDS, D(norm sigma)= 0.0094545172
WabejDS, D(norm sigma)= 0.0007666697
WnmjeDS, D(norm sigma)= 0.0000016929
WbmfeDS, D(norm sigma)= -0.0000157457
Fbe_FDD , D(norm sigma)= 0.6629425730
Fmj_DD, D(norm sigma)= 0.8784765062
WmnijDD, D(norm sigma)= 0.4383849438
WabefDD, D(norm sigma)= 0.2531656772
WmbejDD, D(norm sigma)= -1.0292292390
WmnefDD XAF, D(norm sigma)= 0.0018651180
WmnefDD XLI, D(norm sigma)= 0.0000698141
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3486535493
FSD , D(norm sigma)= -0.0000280443
WamefSD, D(norm sigma)= 0.0043613609
WmnieSD, D(norm sigma)= 0.0021024229
WmaijDS, D(norm sigma)= 0.0235845261
WabejDS, D(norm sigma)= 0.0016268620
WnmjeDS, D(norm sigma)= 0.0000737662
WbmfeDS, D(norm sigma)= 0.0000528883
Fbe_FDD , D(norm sigma)= 0.7766521862
Fmj_DD, D(norm sigma)= 0.7858692386
WmnijDD, D(norm sigma)= 0.3861523952
WabefDD, D(norm sigma)= 0.2639247765
WmbejDD, D(norm sigma)= -1.0468771590
WmnefDD XAF, D(norm sigma)= 0.0011096241
WmnefDD XLI, D(norm sigma)= 0.0001559218
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2557881766
FSD , D(norm sigma)= 0.0000108972
WamefSD, D(norm sigma)= -0.0022871606
WmnieSD, D(norm sigma)= 0.0030051472
WmaijDS, D(norm sigma)= 0.0128299654
WabejDS, D(norm sigma)= 0.0030124742
WnmjeDS, D(norm sigma)= 0.0000396497
WbmfeDS, D(norm sigma)= 0.0000413522
Fbe_FDD , D(norm sigma)= 0.6215910194
Fmj_DD, D(norm sigma)= 0.9528554237
WmnijDD, D(norm sigma)= 0.4462161208
WabefDD, D(norm sigma)= 0.2268201531
WmbejDD, D(norm sigma)= -1.0667236352
WmnefDD XAF, D(norm sigma)= 0.0009467443
WmnefDD XLI, D(norm sigma)= 0.0000338303
resetting norm
The G Matrix
0 1 2 3 4
0 0.194100936333467 0.000306577660943 0.000050433943665 -0.318183687114581 -0.001556945727390
1 -0.000000000000000 0.308295418936790 0.000073175889496 -0.000462576578605 -0.277320095849183
2 0.000000000000000 0.000000000000000 0.371007063266953 -0.010886667190544 0.016623320760043
3 -0.299718172746006 -0.001436240402756 -0.008984724182633 1.688260049437391 0.005757846815323
4 -0.001520897091998 -0.252736266682885 0.016171456190726 0.005995455172407 1.289690928383917
5 0.000929437548044 0.006074943011113 -0.244270358413801 -0.021828399121030 -0.032868192221685
6 -0.024535706566891 -0.002833857676679 -0.003114835668961 0.404492949573959 0.025717144364827
7 -0.002902151439153 0.014442820441633 0.000298974864923 0.012193817165429 0.170076560834654
8 0.009673994868275 0.002106704226987 -0.013587344063205 -0.046270564294307 0.007048433984947
9 -0.034792056691795 -0.002105196369105 0.001035775122477 0.132272980950728 0.003402855143045
10 -0.004120880865273 0.037826777753943 -0.001568978269621 0.025868880842127 -0.161342258779619
11 -0.001575438473204 -0.007624768976767 0.042542891969297 0.013188833362436 0.037071239872568
12 -0.026114950972727 -0.003340445985572 -0.006930321759436 0.188882792704741 0.026692516385598
13 -0.003600912696440 0.008282506124465 0.000193874487246 0.033174004368518 -0.090856534788761
14 -0.007181408309910 0.000573842160187 -0.004675220086707 0.043599375813839 0.005211307386988
15 0.018066342169160 -0.002432957159644 0.006260760016775 -0.148965288973393 0.003069942582448
16 0.004425908342980 0.003474400242582 0.007407334701752 -0.037193486097294 -0.003246478903269
17 -0.001078695026997 0.019022428793271 -0.004807909202829 0.006265654694236 -0.065807377238702
18 0.020198801417722 0.002670651925083 0.002006616853969 -0.096317078737271 -0.012404959435748
19 0.011152794223415 -0.000750462464040 -0.011399310668426 -0.060773837584305 -0.001411614915959
20 0.006302958385319 0.006880384882100 0.003146819399809 -0.031316249619733 -0.053589400968123
21 0.000862960298177 -0.000297515388671 0.004964412026118 -0.034900057038764 -0.001747227706983
22 0.016113903890164 -0.000498378911640 0.002109583207340 -0.096199866287397 0.003123457186457
23 0.000861851676937 0.002908678899946 -0.002491085646391 -0.010551365718923 -0.018748575507809
24 -0.008612015119539 -0.001482472135804 0.002766809965436 0.047192726610183 0.008037584655990
25 -0.011193726971489 -0.001006906547656 0.002807981398588 0.033535800277789 -0.004493924322198
26 -0.002102688490527 -0.022940030636392 0.000888757445532 0.009985518326780 0.081510393735907
5 6 7 8 9
0 0.000694553321658 -0.023534221416565 -0.003324376665100 0.011339489904660 -0.035021219919570
1 0.005612129464447 -0.004415925393421 0.018381680953146 0.003699790135994 -0.003840130626909
2 -0.267486330429720 -0.002235909826695 -0.000614028647279 -0.017300484857411 0.003050979576058
3 -0.021966448808971 0.397017406122317 0.012837718801958 -0.046934335196566 0.133498363324441
4 -0.033032102959648 0.026046997379311 0.166122955661329 0.007223440116316 0.003873737272822
5 1.360947111868654 0.030397525079416 -0.012030446181927 -0.160785898514004 -0.015873964672137
6 0.030860676006527 1.037372277609788 -0.030035561319416 0.013529605691711 -0.533891277279130
7 -0.011259809331177 -0.030524417892996 1.136639695252982 0.128725584300394 -0.047584321668039
8 -0.165375500500898 0.013354175770092 0.128476686501225 1.124457735142912 -0.024532713159349
9 -0.015623243699260 -0.532361238440534 -0.047101262639220 -0.023534748859036 0.955738109262282
10 -0.002384048383152 -0.001719706694494 0.251127955602593 -0.004795083199245 0.015757508374509
11 -0.178542416094912 -0.005938040156103 -0.023061129677334 -0.278544765592282 0.020523505353091
12 0.026854832349933 0.158710775461897 0.031956326290408 0.006299390135292 0.425523042730931
13 -0.022386704132947 0.064268719731963 -0.204317788317128 0.039233880920209 -0.012799794986999
14 0.077910001817269 -0.018342557175638 0.006715202015487 -0.178945407298781 0.090791142501576
15 -0.033552477659694 -0.278047366031875 -0.015768746542803 0.013055920010167 0.202976101076564
16 -0.006692677778815 0.028666014448737 0.063843044233837 -0.095448126969656 -0.113492009812872
17 0.011733337346996 -0.028980193159376 0.098623871958243 0.036046817913543 0.065160093572564
18 0.005272599473788 0.066035746761473 -0.002612807222971 -0.033798984901224 -0.228443229732953
19 0.043739218459100 -0.024484660919324 -0.028095911646765 0.063856892753530 0.023126751949127
20 -0.011444479912944 -0.008393660678166 -0.096314435053220 -0.006292756205719 0.022448102613402
21 -0.021907886447960 -0.113166180342105 0.001027785147529 -0.010402839973210 0.047785926606316
22 0.004035100147860 -0.070515891470109 0.006056958660623 -0.038583357209132 0.041425397229221
23 0.009259384575069 -0.022805106367319 -0.041562524369435 0.001197047661682 0.024473534952457
24 -0.019797908500739 0.003517123219533 0.016227153347790 0.019515596036532 0.038304783200821
25 -0.011263224446587 -0.084210273633177 -0.027935688836981 -0.034914201945193 0.134545004787566
26 -0.005574260964069 0.005087849879495 -0.043571317453400 0.010389899299909 0.007576293565628
10 11 12 13 14
0 -0.002800753777955 -0.000390942345706 -0.027547608659944 -0.005473883988918 -0.006662323778125
1 0.044367810202119 -0.010241731186339 -0.003654170068792 0.007814911765467 -0.000117863552186
2 -0.003545837937918 0.048751617665196 -0.008475121665033 0.000696103527245 -0.005562457487975
3 0.024422340584729 0.013287930406086 0.187257446805473 0.034322294161863 0.045801273330567
4 -0.161186220698090 0.037205043528211 0.025405209488574 -0.087456910307340 0.007995724467804
5 -0.001579329251392 -0.177317732123349 0.028312728143053 -0.023443072884993 0.075670075064796
6 -0.002186747878456 -0.007384132308134 0.158649664467194 0.064757470109729 -0.020730512130086
7 0.251651324699910 -0.022155548346066 0.030437599114599 -0.204097373916259 0.008145219569919
8 -0.005608240462846 -0.278975613647629 0.006736961391499 0.039255291801739 -0.177716786674490
9 0.016971385297803 0.020026768007580 0.427706961989992 -0.013261139317197 0.089605993076640
10 1.114317823254510 -0.109289479404642 0.002664298692013 0.319247509595947 0.094445878011337
11 -0.109637126601914 1.194969065310894 0.057573888404605 -0.018943941788915 -0.292869197066370
12 0.001355810578766 0.057342939800190 1.237424111251944 0.013328984396485 0.089954789196389
13 0.320664205757259 -0.017886768524020 0.012822269202871 1.108981429534547 0.085530984848941
14 0.093236740470143 -0.293974736363371 0.090331200223861 0.085102501682289 1.042853176591056
15 0.004684951368253 0.018799023391413 -0.419511717476543 -0.020961093385943 0.068241239915845
16 0.012289865270075 -0.071889422536875 -0.092834194910589 -0.087204117809036 0.079263369965594
17 0.166106353763545 -0.027836968661318 0.059872316016066 -0.341454164584917 -0.144183168830894
18 0.012232314678739 -0.012396750958446 -0.239891808132255 -0.006261650224874 0.018438515404552
19 -0.061029727335803 -0.087477321306985 -0.021421626327680 -0.007045015962638 -0.123773344371094
20 0.075671737195753 -0.038120872620823 0.018983678771750 0.171721381381104 0.078822265683834
21 0.027078736956825 0.008753166088038 -0.127704034674812 0.033066383207005 -0.025605719273758
22 0.003788533811991 -0.019110312481116 0.002749787051723 -0.036658054712357 0.086816906797796
23 -0.046135713916248 0.005532531190988 0.014066835143304 0.077675500731723 -0.008328019279881
24 0.017914599968749 0.003343425997661 0.035411295426339 0.005121278245770 0.048201361145071
25 0.011781410623855 0.017847592664844 0.144710544099215 0.080562658054716 0.015913276825136
26 -0.049765064934464 -0.033797784691864 0.009727628281501 -0.012678811458344 0.030050359886787
15 16 17 18 19
0 0.019796774600438 0.004549513812837 -0.001382685546489 0.021261024963743 0.010217475942387
1 -0.002969981584930 0.004438158607260 0.021855223113620 0.003233326201746 -0.001210178214676
2 0.005673475988019 0.010481922971193 -0.005037950558058 0.001126799926156 -0.011616123963682
3 -0.146583957543570 -0.036923331227078 0.008068440931839 -0.095132233606507 -0.060274707389885
4 0.003713244886419 -0.002378133234757 -0.064904966168255 -0.011558942555302 -0.001004470150518
5 -0.033161992248049 -0.007849390393472 0.010894211082335 0.004176722049416 0.043474320266302
6 -0.278810277629651 0.029601499398036 -0.030472509919028 0.070424162708050 -0.025661716136823
7 -0.015374779101676 0.064527773403635 0.098273310938914 -0.002783249159549 -0.028719711338777
8 0.013976728804945 -0.095584552708960 0.036413434690940 -0.032390058912143 0.064100863355285
9 0.203115755998430 -0.113109060278659 0.063214910708784 -0.228851695237582 0.020224974774810
10 0.004971824470414 0.013093119647262 0.163941381373564 0.013289404135866 -0.061087437715631
11 0.018865391196404 -0.070993131500647 -0.026771944775822 -0.011109179632336 -0.086311929424496
12 -0.418874288496021 -0.093240041985573 0.060090757488700 -0.239715496985044 -0.023090898773387
13 -0.020169165953986 -0.087561924055905 -0.341826879645942 -0.008512219360042 -0.008521862207410
14 0.071484644968660 0.079636852169673 -0.143749169596291 0.017728566359802 -0.121700123365940
15 1.316154925470086 0.012295492812520 0.040603262237646 -0.451509195043577 0.069283992626744
16 0.009545680158780 0.991597900031015 0.003703465397125 -0.061148423385335 -0.209476324219493
17 0.042488556141640 0.005119648168098 1.252491022466186 -0.037038221432198 -0.044125861243397
18 -0.453605638157581 -0.060866429469763 -0.036747509881828 1.332300578554835 0.123081845455875
19 0.071532845180269 -0.205793220922343 -0.044329344917053 0.126113704615810 1.095898910467777
20 0.008759934269825 0.008150069176231 0.346352085182431 0.051520518136293 -0.016423814194625
21 0.139995264761322 0.034586375544808 -0.023183633969035 0.405480503942849 0.127482220429430
22 0.087086019119800 0.038635488132289 0.041172629934012 -0.090006868638259 0.352941202894045
23 0.003526774015544 0.011358836101807 -0.180842770121353 -0.022442166616829 0.000546182868752
24 0.098553179280450 0.016780921726709 -0.039241689593684 -0.167716110189775 -0.075258710302231
25 -0.092778299999232 0.254266558372005 -0.085630633492645 -0.080631332622522 -0.177969135404511
26 -0.002398480232311 0.082684981345884 -0.073215425905908 0.000971006567425 -0.010473697096617
20 21 22 23 24
0 0.006997224632518 -0.000179578955512 0.018014942480471 0.000112388060655 -0.007371629416279
1 0.007307361097453 0.000741165643024 -0.000982036151900 0.000686383589603 -0.001982103014579
2 0.003566370402071 0.005148675110432 0.001920569570355 -0.002676376124672 0.002778678503021
3 -0.031703095563640 -0.035787732665785 -0.095278139726144 -0.010131855711637 0.046834114197064
4 -0.053963570525785 -0.001873808618168 0.002980428429359 -0.017599672483755 0.008920896496695
5 -0.010597732896514 -0.021172923121221 0.003045440500478 0.009232810050221 -0.020135362448252
6 -0.009033851317933 -0.113114270864338 -0.072874238438417 -0.023363393257699 0.003675997490424
7 -0.097046246106241 0.002672186375645 0.006183076222925 -0.041714594400510 0.015142527324514
8 -0.006150395049679 -0.012068666669678 -0.038796461717100 0.001199566521868 0.020555665157529
9 0.022352722931888 0.051697164066280 0.039522862347859 0.024785707666122 0.038095738031791
10 0.074045903803767 0.026584767839144 0.004116601258426 -0.046951893424354 0.016427182208704
11 -0.037147767292211 0.007965063900791 -0.017047455762081 0.005799928786169 0.002302852383089
12 0.018094781123491 -0.124926736585031 0.000934540268777 0.013734971898091 0.035913675622861
13 0.171172888704621 0.035049555986077 -0.037432277179092 0.077732394654061 0.004880854361437
14 0.080296386216457 -0.026685810231596 0.089921578854239 -0.008815707013384 0.048402956199979
15 0.008368411119004 0.139618124203445 0.086946789767376 0.002963637236031 0.099645385609405
16 0.006913733054389 0.036262963075692 0.033365170031102 0.009877271745768 0.016848197551164
17 0.348323677653153 -0.023267407097697 0.043801702993736 -0.181300020336858 -0.039260110829517
18 0.050146993737375 0.405934253683479 -0.092706405165802 -0.021590643743600 -0.169199657996867
19 -0.016242251272405 0.125990779121228 0.356595532526204 0.001247183091851 -0.076918906448113
20 1.260794221421254 -0.048473220599617 0.011392703868338 0.374897045526811 -0.039988334664495
21 -0.048571666205883 1.407360188315143 0.057819810227569 -0.009247203126637 0.350987968808940
22 0.011173122188634 0.058989759664691 1.209706737710860 0.006137486454594 0.065219185123878
23 0.373770729421350 -0.008573418905836 0.007091507511336 1.248880355326654 -0.008464925480784
24 -0.038933922287749 0.348317027696417 0.065392764945359 -0.007939871198989 1.357788320467452
25 -0.004782524413459 -0.091674161785076 0.260635727860226 0.083293129852405 0.045508897465060
26 -0.163927500254356 0.059049402987996 -0.024286580828722 0.305096545219176 -0.040252250671201
25 26
0 -0.010601992930574 -0.001009019670529
1 -0.001056374504258 -0.023579089776749
2 0.004312750231364 0.000927762880688
3 0.033654839309791 0.009088954646258
4 -0.005107611155668 0.078382890847738
5 -0.011082898815375 -0.005613865462960
6 -0.085393397255761 0.005529946276582
7 -0.029708109378007 -0.043601851764138
8 -0.034603156472098 0.009960622533510
9 0.135440096345598 0.008323073987020
10 0.012806753729015 -0.049058907179482
11 0.017541621365649 -0.034427241185367
12 0.146448987238820 0.009958430294653
13 0.079966781928992 -0.014169018540041
14 0.016689791533030 0.029091571463293
15 -0.093339549081219 -0.002600790749471
16 0.255927898409378 0.083652368824932
17 -0.087608986474959 -0.072548174092630
18 -0.078054396640403 0.000927286930800
19 -0.180255505896999 -0.010633278936948
20 -0.005456610890874 -0.164210674618481
21 -0.091484576272420 0.059578775831380
22 0.258092395383870 -0.025222741966958
23 0.082219879691631 0.305194927977226
24 0.043878193929328 -0.039318617597244
25 1.226401995666621 -0.032477535263341
26 -0.031786004286150 1.285189482506358
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0006842746531
Norm of residual vector 0 after precondition 0.0006842746531
1 0.1239041587 -2.52e-07 6.84e-04 N
Norm of residual vector af preconditioning 0.0004056895578
Norm of residual vector 1 before precondition 0.0050973739184
Norm of residual vector 1 after precondition 0.0050973739184
2 0.1970992762 -1.50e-04 5.10e-03 N
Norm of residual vector af preconditioning 0.0032967133718
Norm of residual vector 2 before precondition 0.0008216282095
Norm of residual vector 2 after precondition 0.0008216282095
3 0.2372435746 -1.27e-06 8.22e-04 N
Norm of residual vector af preconditioning 0.0005573774236
Iter=10 L=30 resetting norm
SigmaSS, D(norm sigma)= 0.3893569832
FSD , D(norm sigma)= 0.0000163625
WamefSD, D(norm sigma)= 0.0103419256
WmnieSD, D(norm sigma)= 0.0004080425
WmaijDS, D(norm sigma)= 0.0132779118
WabejDS, D(norm sigma)= 0.0014563144
WnmjeDS, D(norm sigma)= 0.0000192909
WbmfeDS, D(norm sigma)= -0.0000405406
Fbe_FDD , D(norm sigma)= 0.7643633041
Fmj_DD, D(norm sigma)= 0.8653353541
WmnijDD, D(norm sigma)= 0.4216174615
WabefDD, D(norm sigma)= 0.2574293866
WmbejDD, D(norm sigma)= -1.0355438580
WmnefDD XAF, D(norm sigma)= 0.0016586451
WmnefDD XLI, D(norm sigma)= 0.0000355011
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3519186166
FSD , D(norm sigma)= 0.0000358911
WamefSD, D(norm sigma)= 0.0037444038
WmnieSD, D(norm sigma)= -0.0027779932
WmaijDS, D(norm sigma)= 0.0224833562
WabejDS, D(norm sigma)= 0.0051114177
WnmjeDS, D(norm sigma)= 0.0000740718
WbmfeDS, D(norm sigma)= 0.0002968780
Fbe_FDD , D(norm sigma)= 0.6538011399
Fmj_DD, D(norm sigma)= 0.7507347266
WmnijDD, D(norm sigma)= 0.3831466698
WabefDD, D(norm sigma)= 0.2005084471
WmbejDD, D(norm sigma)= -0.8563908074
WmnefDD XAF, D(norm sigma)= 0.0016194551
WmnefDD XLI, D(norm sigma)= 0.0002616536
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3345891285
FSD , D(norm sigma)= 0.0000141772
WamefSD, D(norm sigma)= -0.0076934760
WmnieSD, D(norm sigma)= 0.0156260154
WmaijDS, D(norm sigma)= 0.0117526121
WabejDS, D(norm sigma)= 0.0009607208
WnmjeDS, D(norm sigma)= 0.0000012828
WbmfeDS, D(norm sigma)= -0.0000340595
Fbe_FDD , D(norm sigma)= 0.6412428965
Fmj_DD, D(norm sigma)= 0.9110744374
WmnijDD, D(norm sigma)= 0.4372019796
WabefDD, D(norm sigma)= 0.2250788145
WmbejDD, D(norm sigma)= -0.9894920071
WmnefDD XAF, D(norm sigma)= 0.0010223341
WmnefDD XLI, D(norm sigma)= 0.0000347149
resetting norm
The G Matrix
0 1 2 3 4
0 0.194100936333467 0.000306577660943 0.000050433943665 -0.318183687114581 -0.001556945727390
1 -0.000000000000000 0.308295418936790 0.000073175889496 -0.000462576578605 -0.277320095849183
2 0.000000000000000 0.000000000000000 0.371007063266953 -0.010886667190544 0.016623320760043
3 -0.299718172746006 -0.001436240402756 -0.008984724182633 1.688260049437391 0.005757846815323
4 -0.001520897091998 -0.252736266682885 0.016171456190726 0.005995455172407 1.289690928383917
5 0.000929437548044 0.006074943011113 -0.244270358413801 -0.021828399121030 -0.032868192221685
6 -0.024535706566891 -0.002833857676679 -0.003114835668961 0.404492949573959 0.025717144364827
7 -0.002902151439153 0.014442820441633 0.000298974864923 0.012193817165429 0.170076560834654
8 0.009673994868275 0.002106704226987 -0.013587344063205 -0.046270564294307 0.007048433984947
9 -0.034792056691795 -0.002105196369105 0.001035775122477 0.132272980950728 0.003402855143045
10 -0.004120880865273 0.037826777753943 -0.001568978269621 0.025868880842127 -0.161342258779619
11 -0.001575438473204 -0.007624768976767 0.042542891969297 0.013188833362436 0.037071239872568
12 -0.026114950972727 -0.003340445985572 -0.006930321759436 0.188882792704741 0.026692516385598
13 -0.003600912696440 0.008282506124465 0.000193874487246 0.033174004368518 -0.090856534788761
14 -0.007181408309910 0.000573842160187 -0.004675220086707 0.043599375813839 0.005211307386988
15 0.018066342169160 -0.002432957159644 0.006260760016775 -0.148965288973393 0.003069942582448
16 0.004425908342980 0.003474400242582 0.007407334701752 -0.037193486097294 -0.003246478903269
17 -0.001078695026997 0.019022428793271 -0.004807909202829 0.006265654694236 -0.065807377238702
18 0.020198801417722 0.002670651925083 0.002006616853969 -0.096317078737271 -0.012404959435748
19 0.011152794223415 -0.000750462464040 -0.011399310668426 -0.060773837584305 -0.001411614915959
20 0.006302958385319 0.006880384882100 0.003146819399809 -0.031316249619733 -0.053589400968123
21 0.000862960298177 -0.000297515388671 0.004964412026118 -0.034900057038764 -0.001747227706983
22 0.016113903890164 -0.000498378911640 0.002109583207340 -0.096199866287397 0.003123457186457
23 0.000861851676937 0.002908678899946 -0.002491085646391 -0.010551365718923 -0.018748575507809
24 -0.008612015119539 -0.001482472135804 0.002766809965436 0.047192726610183 0.008037584655990
25 -0.011193726971489 -0.001006906547656 0.002807981398588 0.033535800277789 -0.004493924322198
26 -0.002102688490527 -0.022940030636392 0.000888757445532 0.009985518326780 0.081510393735907
27 0.002277492545989 0.004894750826254 0.005964736406027 -0.018037118893106 -0.031806127846836
28 -0.002464134520201 -0.002932052946171 -0.003942808664571 -0.006578634179591 0.009972221472934
29 0.001034625797996 0.002839052960782 -0.001125181167912 -0.010319844513189 -0.003207424204361
5 6 7 8 9
0 0.000694553321658 -0.023534221416565 -0.003324376665100 0.011339489904660 -0.035021219919570
1 0.005612129464447 -0.004415925393421 0.018381680953146 0.003699790135994 -0.003840130626909
2 -0.267486330429720 -0.002235909826695 -0.000614028647279 -0.017300484857411 0.003050979576058
3 -0.021966448808971 0.397017406122317 0.012837718801958 -0.046934335196566 0.133498363324441
4 -0.033032102959648 0.026046997379311 0.166122955661329 0.007223440116316 0.003873737272822
5 1.360947111868654 0.030397525079416 -0.012030446181927 -0.160785898514004 -0.015873964672137
6 0.030860676006527 1.037372277609788 -0.030035561319416 0.013529605691711 -0.533891277279130
7 -0.011259809331177 -0.030524417892996 1.136639695252982 0.128725584300394 -0.047584321668039
8 -0.165375500500898 0.013354175770092 0.128476686501225 1.124457735142912 -0.024532713159349
9 -0.015623243699260 -0.532361238440534 -0.047101262639220 -0.023534748859036 0.955738109262282
10 -0.002384048383152 -0.001719706694494 0.251127955602593 -0.004795083199245 0.015757508374509
11 -0.178542416094912 -0.005938040156103 -0.023061129677334 -0.278544765592282 0.020523505353091
12 0.026854832349933 0.158710775461897 0.031956326290408 0.006299390135292 0.425523042730931
13 -0.022386704132947 0.064268719731963 -0.204317788317128 0.039233880920209 -0.012799794986999
14 0.077910001817269 -0.018342557175638 0.006715202015487 -0.178945407298781 0.090791142501576
15 -0.033552477659694 -0.278047366031875 -0.015768746542803 0.013055920010167 0.202976101076564
16 -0.006692677778815 0.028666014448737 0.063843044233837 -0.095448126969656 -0.113492009812872
17 0.011733337346996 -0.028980193159376 0.098623871958243 0.036046817913543 0.065160093572564
18 0.005272599473788 0.066035746761473 -0.002612807222971 -0.033798984901224 -0.228443229732953
19 0.043739218459100 -0.024484660919324 -0.028095911646765 0.063856892753530 0.023126751949127
20 -0.011444479912944 -0.008393660678166 -0.096314435053220 -0.006292756205719 0.022448102613402
21 -0.021907886447960 -0.113166180342105 0.001027785147529 -0.010402839973210 0.047785926606316
22 0.004035100147860 -0.070515891470109 0.006056958660623 -0.038583357209132 0.041425397229221
23 0.009259384575069 -0.022805106367319 -0.041562524369435 0.001197047661682 0.024473534952457
24 -0.019797908500739 0.003517123219533 0.016227153347790 0.019515596036532 0.038304783200821
25 -0.011263224446587 -0.084210273633177 -0.027935688836981 -0.034914201945193 0.134545004787566
26 -0.005574260964069 0.005087849879495 -0.043571317453400 0.010389899299909 0.007576293565628
27 -0.019138173465479 -0.028006248447543 -0.055037975330090 -0.044257577109917 0.021479434215357
28 0.018427949980089 -0.066450925915524 0.004312445137218 -0.003262065229744 0.045014428822896
29 0.000619906944726 -0.027115527647829 0.035689199445119 0.025910436179967 0.019704492856289
10 11 12 13 14
0 -0.002800753777955 -0.000390942345706 -0.027547608659944 -0.005473883988918 -0.006662323778125
1 0.044367810202119 -0.010241731186339 -0.003654170068792 0.007814911765467 -0.000117863552186
2 -0.003545837937918 0.048751617665196 -0.008475121665033 0.000696103527245 -0.005562457487975
3 0.024422340584729 0.013287930406086 0.187257446805473 0.034322294161863 0.045801273330567
4 -0.161186220698090 0.037205043528211 0.025405209488574 -0.087456910307340 0.007995724467804
5 -0.001579329251392 -0.177317732123349 0.028312728143053 -0.023443072884993 0.075670075064796
6 -0.002186747878456 -0.007384132308134 0.158649664467194 0.064757470109729 -0.020730512130086
7 0.251651324699910 -0.022155548346066 0.030437599114599 -0.204097373916259 0.008145219569919
8 -0.005608240462846 -0.278975613647629 0.006736961391499 0.039255291801739 -0.177716786674490
9 0.016971385297803 0.020026768007580 0.427706961989992 -0.013261139317197 0.089605993076640
10 1.114317823254510 -0.109289479404642 0.002664298692013 0.319247509595947 0.094445878011337
11 -0.109637126601914 1.194969065310894 0.057573888404605 -0.018943941788915 -0.292869197066370
12 0.001355810578766 0.057342939800190 1.237424111251944 0.013328984396485 0.089954789196389
13 0.320664205757259 -0.017886768524020 0.012822269202871 1.108981429534547 0.085530984848941
14 0.093236740470143 -0.293974736363371 0.090331200223861 0.085102501682289 1.042853176591056
15 0.004684951368253 0.018799023391413 -0.419511717476543 -0.020961093385943 0.068241239915845
16 0.012289865270075 -0.071889422536875 -0.092834194910589 -0.087204117809036 0.079263369965594
17 0.166106353763545 -0.027836968661318 0.059872316016066 -0.341454164584917 -0.144183168830894
18 0.012232314678739 -0.012396750958446 -0.239891808132255 -0.006261650224874 0.018438515404552
19 -0.061029727335803 -0.087477321306985 -0.021421626327680 -0.007045015962638 -0.123773344371094
20 0.075671737195753 -0.038120872620823 0.018983678771750 0.171721381381104 0.078822265683834
21 0.027078736956825 0.008753166088038 -0.127704034674812 0.033066383207005 -0.025605719273758
22 0.003788533811991 -0.019110312481116 0.002749787051723 -0.036658054712357 0.086816906797796
23 -0.046135713916248 0.005532531190988 0.014066835143304 0.077675500731723 -0.008328019279881
24 0.017914599968749 0.003343425997661 0.035411295426339 0.005121278245770 0.048201361145071
25 0.011781410623855 0.017847592664844 0.144710544099215 0.080562658054716 0.015913276825136
26 -0.049765064934464 -0.033797784691864 0.009727628281501 -0.012678811458344 0.030050359886787
27 -0.038017481647126 0.054896387577303 -0.006018523008974 -0.013055958490746 0.021022064475922
28 0.010015687200675 -0.039289769929267 -0.026667397050606 -0.013719218110075 -0.018689757030880
29 0.005713576098660 -0.037871752536491 0.001370294953816 -0.049271828165351 0.060014657334239
15 16 17 18 19
0 0.019796774600438 0.004549513812837 -0.001382685546489 0.021261024963743 0.010217475942387
1 -0.002969981584930 0.004438158607260 0.021855223113620 0.003233326201746 -0.001210178214676
2 0.005673475988019 0.010481922971193 -0.005037950558058 0.001126799926156 -0.011616123963682
3 -0.146583957543570 -0.036923331227078 0.008068440931839 -0.095132233606507 -0.060274707389885
4 0.003713244886419 -0.002378133234757 -0.064904966168255 -0.011558942555302 -0.001004470150518
5 -0.033161992248049 -0.007849390393472 0.010894211082335 0.004176722049416 0.043474320266302
6 -0.278810277629651 0.029601499398036 -0.030472509919028 0.070424162708050 -0.025661716136823
7 -0.015374779101676 0.064527773403635 0.098273310938914 -0.002783249159549 -0.028719711338777
8 0.013976728804945 -0.095584552708960 0.036413434690940 -0.032390058912143 0.064100863355285
9 0.203115755998430 -0.113109060278659 0.063214910708784 -0.228851695237582 0.020224974774810
10 0.004971824470414 0.013093119647262 0.163941381373564 0.013289404135866 -0.061087437715631
11 0.018865391196404 -0.070993131500647 -0.026771944775822 -0.011109179632336 -0.086311929424496
12 -0.418874288496021 -0.093240041985573 0.060090757488700 -0.239715496985044 -0.023090898773387
13 -0.020169165953986 -0.087561924055905 -0.341826879645942 -0.008512219360042 -0.008521862207410
14 0.071484644968660 0.079636852169673 -0.143749169596291 0.017728566359802 -0.121700123365940
15 1.316154925470086 0.012295492812520 0.040603262237646 -0.451509195043577 0.069283992626744
16 0.009545680158780 0.991597900031015 0.003703465397125 -0.061148423385335 -0.209476324219493
17 0.042488556141640 0.005119648168098 1.252491022466186 -0.037038221432198 -0.044125861243397
18 -0.453605638157581 -0.060866429469763 -0.036747509881828 1.332300578554835 0.123081845455875
19 0.071532845180269 -0.205793220922343 -0.044329344917053 0.126113704615810 1.095898910467777
20 0.008759934269825 0.008150069176231 0.346352085182431 0.051520518136293 -0.016423814194625
21 0.139995264761322 0.034586375544808 -0.023183633969035 0.405480503942849 0.127482220429430
22 0.087086019119800 0.038635488132289 0.041172629934012 -0.090006868638259 0.352941202894045
23 0.003526774015544 0.011358836101807 -0.180842770121353 -0.022442166616829 0.000546182868752
24 0.098553179280450 0.016780921726709 -0.039241689593684 -0.167716110189775 -0.075258710302231
25 -0.092778299999232 0.254266558372005 -0.085630633492645 -0.080631332622522 -0.177969135404511
26 -0.002398480232311 0.082684981345884 -0.073215425905908 0.000971006567425 -0.010473697096617
27 0.016599460071028 0.071804578534800 -0.037475337335212 0.094184200329833 -0.066132125918476
28 0.014888155035133 0.017108098308497 0.031900704885355 0.051550283982002 0.156886031078753
29 0.032002785385765 -0.031691384802898 0.021108840994289 -0.063926602307282 -0.057020698163473
20 21 22 23 24
0 0.006997224632518 -0.000179578955512 0.018014942480471 0.000112388060655 -0.007371629416279
1 0.007307361097453 0.000741165643024 -0.000982036151900 0.000686383589603 -0.001982103014579
2 0.003566370402071 0.005148675110432 0.001920569570355 -0.002676376124672 0.002778678503021
3 -0.031703095563640 -0.035787732665785 -0.095278139726144 -0.010131855711637 0.046834114197064
4 -0.053963570525785 -0.001873808618168 0.002980428429359 -0.017599672483755 0.008920896496695
5 -0.010597732896514 -0.021172923121221 0.003045440500478 0.009232810050221 -0.020135362448252
6 -0.009033851317933 -0.113114270864338 -0.072874238438417 -0.023363393257699 0.003675997490424
7 -0.097046246106241 0.002672186375645 0.006183076222925 -0.041714594400510 0.015142527324514
8 -0.006150395049679 -0.012068666669678 -0.038796461717100 0.001199566521868 0.020555665157529
9 0.022352722931888 0.051697164066280 0.039522862347859 0.024785707666122 0.038095738031791
10 0.074045903803767 0.026584767839144 0.004116601258426 -0.046951893424354 0.016427182208704
11 -0.037147767292211 0.007965063900791 -0.017047455762081 0.005799928786169 0.002302852383089
12 0.018094781123491 -0.124926736585031 0.000934540268777 0.013734971898091 0.035913675622861
13 0.171172888704621 0.035049555986077 -0.037432277179092 0.077732394654061 0.004880854361437
14 0.080296386216457 -0.026685810231596 0.089921578854239 -0.008815707013384 0.048402956199979
15 0.008368411119004 0.139618124203445 0.086946789767376 0.002963637236031 0.099645385609405
16 0.006913733054389 0.036262963075692 0.033365170031102 0.009877271745768 0.016848197551164
17 0.348323677653153 -0.023267407097697 0.043801702993736 -0.181300020336858 -0.039260110829517
18 0.050146993737375 0.405934253683479 -0.092706405165802 -0.021590643743600 -0.169199657996867
19 -0.016242251272405 0.125990779121228 0.356595532526204 0.001247183091851 -0.076918906448113
20 1.260794221421254 -0.048473220599617 0.011392703868338 0.374897045526811 -0.039988334664495
21 -0.048571666205883 1.407360188315143 0.057819810227569 -0.009247203126637 0.350987968808940
22 0.011173122188634 0.058989759664691 1.209706737710860 0.006137486454594 0.065219185123878
23 0.373770729421350 -0.008573418905836 0.007091507511336 1.248880355326654 -0.008464925480784
24 -0.038933922287749 0.348317027696417 0.065392764945359 -0.007939871198989 1.357788320467452
25 -0.004782524413459 -0.091674161785076 0.260635727860226 0.083293129852405 0.045508897465060
26 -0.163927500254356 0.059049402987996 -0.024286580828722 0.305096545219176 -0.040252250671201
27 0.002780152756111 0.252294187407986 -0.010618055182725 0.007949539677128 -0.369897533085425
28 0.009866548327836 0.041339683163936 0.083006134765376 -0.036245731010063 -0.010412775077523
29 -0.100484326452157 -0.025391116671404 0.041480721340348 -0.176618807112389 0.061675321051257
25 26 27 28 29
0 -0.010601992930574 -0.001009019670529 0.004250535095488 -0.002538559738434 0.001480751951009
1 -0.001056374504258 -0.023579089776749 0.004617997649329 -0.002324013319475 0.002605575558288
2 0.004312750231364 0.000927762880688 0.006069459621864 -0.003703347400659 -0.001000126862606
3 0.033654839309791 0.009088954646258 -0.018777328833931 -0.006672043596602 -0.009255228526202
4 -0.005107611155668 0.078382890847738 -0.031871260513591 0.010010754485534 -0.002397151653067
5 -0.011082898815375 -0.005613865462960 -0.019247166180155 0.017819367267302 0.000048948941914
6 -0.085393397255761 0.005529946276582 -0.027859036897046 -0.069502623825205 -0.027270149115586
7 -0.029708109378007 -0.043601851764138 -0.057501952775763 0.004121737561781 0.035276890685890
8 -0.034603156472098 0.009960622533510 -0.044781726941618 -0.002791548816642 0.025995856905872
9 0.135440096345598 0.008323073987020 0.026048339610950 0.045742655917021 0.019473206865999
10 0.012806753729015 -0.049058907179482 -0.038504572275151 0.010888252049701 0.005870732871134
11 0.017541621365649 -0.034427241185367 0.053802548906314 -0.038967977236541 -0.037885166713094
12 0.146448987238820 0.009958430294653 -0.004652260446833 -0.025197523091124 0.001897269995544
13 0.079966781928992 -0.014169018540041 -0.014410321754373 -0.013008013415563 -0.050289889772873
14 0.016689791533030 0.029091571463293 0.019948700296816 -0.016414603071861 0.060434132112492
15 -0.093339549081219 -0.002600790749471 0.017074889330189 0.012730671069016 0.032591020616175
16 0.255927898409378 0.083652368824932 0.073463459675561 0.017204038433823 -0.031683223571666
17 -0.087608986474959 -0.072548174092630 -0.039800713782940 0.032044938465343 0.019409103766104
18 -0.078054396640403 0.000927286930800 0.094961496915461 0.049728805212411 -0.062808331364801
19 -0.180255505896999 -0.010633278936948 -0.067669977349933 0.157323940308908 -0.056484449904150
20 -0.005456610890874 -0.164210674618481 0.002112488230137 0.009358235194736 -0.099241199041020
21 -0.091484576272420 0.059578775831380 0.250937957244466 0.040716741095318 -0.025944018609678
22 0.258092395383870 -0.025222741966958 -0.011623349242727 0.082777686780240 0.041356006985331
23 0.082219879691631 0.305194927977226 0.006970402178308 -0.034919579287875 -0.177276621253128
24 0.043878193929328 -0.039318617597244 -0.369680143673680 -0.011813351305671 0.061085184359565
25 1.226401995666621 -0.032477535263341 -0.100984396190564 -0.377043494704812 0.028487445829816
26 -0.031786004286150 1.285189482506358 -0.018117465049526 0.025046362189918 0.229541329748744
27 -0.100759423604777 -0.018352724512458 1.403131260393752 0.126737111812956 0.004758652782277
28 -0.376508283974562 0.025057559439425 0.125646370663151 1.212683617038609 0.006891692878498
29 0.027258063092246 0.229242413230386 0.006134652873411 0.007446426936750 1.384981795747630
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0002372536219
Norm of residual vector 0 after precondition 0.0002372536219
1 0.1239049072 7.48e-07 2.37e-04 N
Norm of residual vector af preconditioning 0.0001376929511
Norm of residual vector 1 before precondition 0.0019982556830
Norm of residual vector 1 after precondition 0.0019982556830
2 0.1970646943 -3.46e-05 2.00e-03 N
Norm of residual vector af preconditioning 0.0012855535875
Norm of residual vector 2 before precondition 0.0003454456811
Norm of residual vector 2 after precondition 0.0003454456811
3 0.2372438438 2.69e-07 3.45e-04 N
Norm of residual vector af preconditioning 0.0002438877104
Iter=11 L=33 resetting norm
SigmaSS, D(norm sigma)= 0.4197542475
FSD , D(norm sigma)= -0.0000095536
WamefSD, D(norm sigma)= 0.0149991298
WmnieSD, D(norm sigma)= 0.0068566968
WmaijDS, D(norm sigma)= 0.0120493229
WabejDS, D(norm sigma)= 0.0003943401
WnmjeDS, D(norm sigma)= 0.0000049415
WbmfeDS, D(norm sigma)= -0.0000753309
Fbe_FDD , D(norm sigma)= 0.7812229452
Fmj_DD, D(norm sigma)= 0.8418972752
WmnijDD, D(norm sigma)= 0.4182619054
WabefDD, D(norm sigma)= 0.2565100448
WmbejDD, D(norm sigma)= -0.9965573581
WmnefDD XAF, D(norm sigma)= 0.0013911332
WmnefDD XLI, D(norm sigma)= 0.0002645170
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3375129233
FSD , D(norm sigma)= -0.0000291672
WamefSD, D(norm sigma)= -0.0007591926
WmnieSD, D(norm sigma)= 0.0216083423
WmaijDS, D(norm sigma)= 0.0197640114
WabejDS, D(norm sigma)= -0.0004009460
WnmjeDS, D(norm sigma)= -0.0000333258
WbmfeDS, D(norm sigma)= 0.0000236847
Fbe_FDD , D(norm sigma)= 0.6857328598
Fmj_DD, D(norm sigma)= 0.8137400011
WmnijDD, D(norm sigma)= 0.3964938944
WabefDD, D(norm sigma)= 0.2414117386
WmbejDD, D(norm sigma)= -1.0061019112
WmnefDD XAF, D(norm sigma)= 0.0012335842
WmnefDD XLI, D(norm sigma)= 0.0001997914
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2534438944
FSD , D(norm sigma)= 0.0000255719
WamefSD, D(norm sigma)= 0.0033637257
WmnieSD, D(norm sigma)= 0.0053764150
WmaijDS, D(norm sigma)= 0.0150538251
WabejDS, D(norm sigma)= 0.0016915415
WnmjeDS, D(norm sigma)= 0.0000237578
WbmfeDS, D(norm sigma)= 0.0000092822
Fbe_FDD , D(norm sigma)= 0.6215732671
Fmj_DD, D(norm sigma)= 0.9355722302
WmnijDD, D(norm sigma)= 0.4461373889
WabefDD, D(norm sigma)= 0.2204689761
WmbejDD, D(norm sigma)= -1.0020811091
WmnefDD XAF, D(norm sigma)= 0.0008971600
WmnefDD XLI, D(norm sigma)= 0.0001639391
resetting norm
The G Matrix
0 1 2 3 4
0 0.194100936333467 0.000306577660943 0.000050433943665 -0.318183687114581 -0.001556945727390
1 -0.000000000000000 0.308295418936790 0.000073175889496 -0.000462576578605 -0.277320095849183
2 0.000000000000000 0.000000000000000 0.371007063266953 -0.010886667190544 0.016623320760043
3 -0.299718172746006 -0.001436240402756 -0.008984724182633 1.688260049437391 0.005757846815323
4 -0.001520897091998 -0.252736266682885 0.016171456190726 0.005995455172407 1.289690928383917
5 0.000929437548044 0.006074943011113 -0.244270358413801 -0.021828399121030 -0.032868192221685
6 -0.024535706566891 -0.002833857676679 -0.003114835668961 0.404492949573959 0.025717144364827
7 -0.002902151439153 0.014442820441633 0.000298974864923 0.012193817165429 0.170076560834654
8 0.009673994868275 0.002106704226987 -0.013587344063205 -0.046270564294307 0.007048433984947
9 -0.034792056691795 -0.002105196369105 0.001035775122477 0.132272980950728 0.003402855143045
10 -0.004120880865273 0.037826777753943 -0.001568978269621 0.025868880842127 -0.161342258779619
11 -0.001575438473204 -0.007624768976767 0.042542891969297 0.013188833362436 0.037071239872568
12 -0.026114950972727 -0.003340445985572 -0.006930321759436 0.188882792704741 0.026692516385598
13 -0.003600912696440 0.008282506124465 0.000193874487246 0.033174004368518 -0.090856534788761
14 -0.007181408309910 0.000573842160187 -0.004675220086707 0.043599375813839 0.005211307386988
15 0.018066342169160 -0.002432957159644 0.006260760016775 -0.148965288973393 0.003069942582448
16 0.004425908342980 0.003474400242582 0.007407334701752 -0.037193486097294 -0.003246478903269
17 -0.001078695026997 0.019022428793271 -0.004807909202829 0.006265654694236 -0.065807377238702
18 0.020198801417722 0.002670651925083 0.002006616853969 -0.096317078737271 -0.012404959435748
19 0.011152794223415 -0.000750462464040 -0.011399310668426 -0.060773837584305 -0.001411614915959
20 0.006302958385319 0.006880384882100 0.003146819399809 -0.031316249619733 -0.053589400968123
21 0.000862960298177 -0.000297515388671 0.004964412026118 -0.034900057038764 -0.001747227706983
22 0.016113903890164 -0.000498378911640 0.002109583207340 -0.096199866287397 0.003123457186457
23 0.000861851676937 0.002908678899946 -0.002491085646391 -0.010551365718923 -0.018748575507809
24 -0.008612015119539 -0.001482472135804 0.002766809965436 0.047192726610183 0.008037584655990
25 -0.011193726971489 -0.001006906547656 0.002807981398588 0.033535800277789 -0.004493924322198
26 -0.002102688490527 -0.022940030636392 0.000888757445532 0.009985518326780 0.081510393735907
27 0.002277492545989 0.004894750826254 0.005964736406027 -0.018037118893106 -0.031806127846836
28 -0.002464134520201 -0.002932052946171 -0.003942808664571 -0.006578634179591 0.009972221472934
29 0.001034625797996 0.002839052960782 -0.001125181167912 -0.010319844513189 -0.003207424204361
30 -0.000044134529775 -0.000913477185220 0.001112696735459 -0.004602206965185 0.000932048232642
31 -0.004434084328225 0.005330923643117 -0.006372148298676 0.012884485346448 -0.017577775159767
32 -0.002167520673526 0.016430628023207 -0.000798788646245 0.014715888882919 -0.053973154489912
5 6 7 8 9
0 0.000694553321658 -0.023534221416565 -0.003324376665100 0.011339489904660 -0.035021219919570
1 0.005612129464447 -0.004415925393421 0.018381680953146 0.003699790135994 -0.003840130626909
2 -0.267486330429720 -0.002235909826695 -0.000614028647279 -0.017300484857411 0.003050979576058
3 -0.021966448808971 0.397017406122317 0.012837718801958 -0.046934335196566 0.133498363324441
4 -0.033032102959648 0.026046997379311 0.166122955661329 0.007223440116316 0.003873737272822
5 1.360947111868654 0.030397525079416 -0.012030446181927 -0.160785898514004 -0.015873964672137
6 0.030860676006527 1.037372277609788 -0.030035561319416 0.013529605691711 -0.533891277279130
7 -0.011259809331177 -0.030524417892996 1.136639695252982 0.128725584300394 -0.047584321668039
8 -0.165375500500898 0.013354175770092 0.128476686501225 1.124457735142912 -0.024532713159349
9 -0.015623243699260 -0.532361238440534 -0.047101262639220 -0.023534748859036 0.955738109262282
10 -0.002384048383152 -0.001719706694494 0.251127955602593 -0.004795083199245 0.015757508374509
11 -0.178542416094912 -0.005938040156103 -0.023061129677334 -0.278544765592282 0.020523505353091
12 0.026854832349933 0.158710775461897 0.031956326290408 0.006299390135292 0.425523042730931
13 -0.022386704132947 0.064268719731963 -0.204317788317128 0.039233880920209 -0.012799794986999
14 0.077910001817269 -0.018342557175638 0.006715202015487 -0.178945407298781 0.090791142501576
15 -0.033552477659694 -0.278047366031875 -0.015768746542803 0.013055920010167 0.202976101076564
16 -0.006692677778815 0.028666014448737 0.063843044233837 -0.095448126969656 -0.113492009812872
17 0.011733337346996 -0.028980193159376 0.098623871958243 0.036046817913543 0.065160093572564
18 0.005272599473788 0.066035746761473 -0.002612807222971 -0.033798984901224 -0.228443229732953
19 0.043739218459100 -0.024484660919324 -0.028095911646765 0.063856892753530 0.023126751949127
20 -0.011444479912944 -0.008393660678166 -0.096314435053220 -0.006292756205719 0.022448102613402
21 -0.021907886447960 -0.113166180342105 0.001027785147529 -0.010402839973210 0.047785926606316
22 0.004035100147860 -0.070515891470109 0.006056958660623 -0.038583357209132 0.041425397229221
23 0.009259384575069 -0.022805106367319 -0.041562524369435 0.001197047661682 0.024473534952457
24 -0.019797908500739 0.003517123219533 0.016227153347790 0.019515596036532 0.038304783200821
25 -0.011263224446587 -0.084210273633177 -0.027935688836981 -0.034914201945193 0.134545004787566
26 -0.005574260964069 0.005087849879495 -0.043571317453400 0.010389899299909 0.007576293565628
27 -0.019138173465479 -0.028006248447543 -0.055037975330090 -0.044257577109917 0.021479434215357
28 0.018427949980089 -0.066450925915524 0.004312445137218 -0.003262065229744 0.045014428822896
29 0.000619906944726 -0.027115527647829 0.035689199445119 0.025910436179967 0.019704492856289
30 0.001940062724187 -0.032153361566146 -0.005938277008806 -0.029804374364842 0.046809744040112
31 0.028515498379066 -0.048159046365518 0.021013639846651 -0.001761382059228 0.062780083858819
32 -0.001148417182092 0.022713069625322 0.042558360815579 0.007579119721730 -0.022838288825001
10 11 12 13 14
0 -0.002800753777955 -0.000390942345706 -0.027547608659944 -0.005473883988918 -0.006662323778125
1 0.044367810202119 -0.010241731186339 -0.003654170068792 0.007814911765467 -0.000117863552186
2 -0.003545837937918 0.048751617665196 -0.008475121665033 0.000696103527245 -0.005562457487975
3 0.024422340584729 0.013287930406086 0.187257446805473 0.034322294161863 0.045801273330567
4 -0.161186220698090 0.037205043528211 0.025405209488574 -0.087456910307340 0.007995724467804
5 -0.001579329251392 -0.177317732123349 0.028312728143053 -0.023443072884993 0.075670075064796
6 -0.002186747878456 -0.007384132308134 0.158649664467194 0.064757470109729 -0.020730512130086
7 0.251651324699910 -0.022155548346066 0.030437599114599 -0.204097373916259 0.008145219569919
8 -0.005608240462846 -0.278975613647629 0.006736961391499 0.039255291801739 -0.177716786674490
9 0.016971385297803 0.020026768007580 0.427706961989992 -0.013261139317197 0.089605993076640
10 1.114317823254510 -0.109289479404642 0.002664298692013 0.319247509595947 0.094445878011337
11 -0.109637126601914 1.194969065310894 0.057573888404605 -0.018943941788915 -0.292869197066370
12 0.001355810578766 0.057342939800190 1.237424111251944 0.013328984396485 0.089954789196389
13 0.320664205757259 -0.017886768524020 0.012822269202871 1.108981429534547 0.085530984848941
14 0.093236740470143 -0.293974736363371 0.090331200223861 0.085102501682289 1.042853176591056
15 0.004684951368253 0.018799023391413 -0.419511717476543 -0.020961093385943 0.068241239915845
16 0.012289865270075 -0.071889422536875 -0.092834194910589 -0.087204117809036 0.079263369965594
17 0.166106353763545 -0.027836968661318 0.059872316016066 -0.341454164584917 -0.144183168830894
18 0.012232314678739 -0.012396750958446 -0.239891808132255 -0.006261650224874 0.018438515404552
19 -0.061029727335803 -0.087477321306985 -0.021421626327680 -0.007045015962638 -0.123773344371094
20 0.075671737195753 -0.038120872620823 0.018983678771750 0.171721381381104 0.078822265683834
21 0.027078736956825 0.008753166088038 -0.127704034674812 0.033066383207005 -0.025605719273758
22 0.003788533811991 -0.019110312481116 0.002749787051723 -0.036658054712357 0.086816906797796
23 -0.046135713916248 0.005532531190988 0.014066835143304 0.077675500731723 -0.008328019279881
24 0.017914599968749 0.003343425997661 0.035411295426339 0.005121278245770 0.048201361145071
25 0.011781410623855 0.017847592664844 0.144710544099215 0.080562658054716 0.015913276825136
26 -0.049765064934464 -0.033797784691864 0.009727628281501 -0.012678811458344 0.030050359886787
27 -0.038017481647126 0.054896387577303 -0.006018523008974 -0.013055958490746 0.021022064475922
28 0.010015687200675 -0.039289769929267 -0.026667397050606 -0.013719218110075 -0.018689757030880
29 0.005713576098660 -0.037871752536491 0.001370294953816 -0.049271828165351 0.060014657334239
30 0.002248894550116 -0.001780339842644 0.034273213602082 -0.015404577523578 0.120684262442169
31 0.046092566236419 -0.045821435262993 0.047790405483091 0.014488795203426 0.003756121868132
32 0.026883208304111 0.008887680270980 -0.001501423743160 0.024645019986293 -0.023329168411397
15 16 17 18 19
0 0.019796774600438 0.004549513812837 -0.001382685546489 0.021261024963743 0.010217475942387
1 -0.002969981584930 0.004438158607260 0.021855223113620 0.003233326201746 -0.001210178214676
2 0.005673475988019 0.010481922971193 -0.005037950558058 0.001126799926156 -0.011616123963682
3 -0.146583957543570 -0.036923331227078 0.008068440931839 -0.095132233606507 -0.060274707389885
4 0.003713244886419 -0.002378133234757 -0.064904966168255 -0.011558942555302 -0.001004470150518
5 -0.033161992248049 -0.007849390393472 0.010894211082335 0.004176722049416 0.043474320266302
6 -0.278810277629651 0.029601499398036 -0.030472509919028 0.070424162708050 -0.025661716136823
7 -0.015374779101676 0.064527773403635 0.098273310938914 -0.002783249159549 -0.028719711338777
8 0.013976728804945 -0.095584552708960 0.036413434690940 -0.032390058912143 0.064100863355285
9 0.203115755998430 -0.113109060278659 0.063214910708784 -0.228851695237582 0.020224974774810
10 0.004971824470414 0.013093119647262 0.163941381373564 0.013289404135866 -0.061087437715631
11 0.018865391196404 -0.070993131500647 -0.026771944775822 -0.011109179632336 -0.086311929424496
12 -0.418874288496021 -0.093240041985573 0.060090757488700 -0.239715496985044 -0.023090898773387
13 -0.020169165953986 -0.087561924055905 -0.341826879645942 -0.008512219360042 -0.008521862207410
14 0.071484644968660 0.079636852169673 -0.143749169596291 0.017728566359802 -0.121700123365940
15 1.316154925470086 0.012295492812520 0.040603262237646 -0.451509195043577 0.069283992626744
16 0.009545680158780 0.991597900031015 0.003703465397125 -0.061148423385335 -0.209476324219493
17 0.042488556141640 0.005119648168098 1.252491022466186 -0.037038221432198 -0.044125861243397
18 -0.453605638157581 -0.060866429469763 -0.036747509881828 1.332300578554835 0.123081845455875
19 0.071532845180269 -0.205793220922343 -0.044329344917053 0.126113704615810 1.095898910467777
20 0.008759934269825 0.008150069176231 0.346352085182431 0.051520518136293 -0.016423814194625
21 0.139995264761322 0.034586375544808 -0.023183633969035 0.405480503942849 0.127482220429430
22 0.087086019119800 0.038635488132289 0.041172629934012 -0.090006868638259 0.352941202894045
23 0.003526774015544 0.011358836101807 -0.180842770121353 -0.022442166616829 0.000546182868752
24 0.098553179280450 0.016780921726709 -0.039241689593684 -0.167716110189775 -0.075258710302231
25 -0.092778299999232 0.254266558372005 -0.085630633492645 -0.080631332622522 -0.177969135404511
26 -0.002398480232311 0.082684981345884 -0.073215425905908 0.000971006567425 -0.010473697096617
27 0.016599460071028 0.071804578534800 -0.037475337335212 0.094184200329833 -0.066132125918476
28 0.014888155035133 0.017108098308497 0.031900704885355 0.051550283982002 0.156886031078753
29 0.032002785385765 -0.031691384802898 0.021108840994289 -0.063926602307282 -0.057020698163473
30 -0.003687156364273 0.038236022982341 -0.070032995783046 0.025280719935378 -0.034439906091117
31 -0.037317481278286 -0.160650184620851 0.056316424681105 -0.013705551129525 0.073608692954675
32 -0.007952560976019 0.083895265080900 0.008620202201755 0.009488996336639 -0.014965894434228
20 21 22 23 24
0 0.006997224632518 -0.000179578955512 0.018014942480471 0.000112388060655 -0.007371629416279
1 0.007307361097453 0.000741165643024 -0.000982036151900 0.000686383589603 -0.001982103014579
2 0.003566370402071 0.005148675110432 0.001920569570355 -0.002676376124672 0.002778678503021
3 -0.031703095563640 -0.035787732665785 -0.095278139726144 -0.010131855711637 0.046834114197064
4 -0.053963570525785 -0.001873808618168 0.002980428429359 -0.017599672483755 0.008920896496695
5 -0.010597732896514 -0.021172923121221 0.003045440500478 0.009232810050221 -0.020135362448252
6 -0.009033851317933 -0.113114270864338 -0.072874238438417 -0.023363393257699 0.003675997490424
7 -0.097046246106241 0.002672186375645 0.006183076222925 -0.041714594400510 0.015142527324514
8 -0.006150395049679 -0.012068666669678 -0.038796461717100 0.001199566521868 0.020555665157529
9 0.022352722931888 0.051697164066280 0.039522862347859 0.024785707666122 0.038095738031791
10 0.074045903803767 0.026584767839144 0.004116601258426 -0.046951893424354 0.016427182208704
11 -0.037147767292211 0.007965063900791 -0.017047455762081 0.005799928786169 0.002302852383089
12 0.018094781123491 -0.124926736585031 0.000934540268777 0.013734971898091 0.035913675622861
13 0.171172888704621 0.035049555986077 -0.037432277179092 0.077732394654061 0.004880854361437
14 0.080296386216457 -0.026685810231596 0.089921578854239 -0.008815707013384 0.048402956199979
15 0.008368411119004 0.139618124203445 0.086946789767376 0.002963637236031 0.099645385609405
16 0.006913733054389 0.036262963075692 0.033365170031102 0.009877271745768 0.016848197551164
17 0.348323677653153 -0.023267407097697 0.043801702993736 -0.181300020336858 -0.039260110829517
18 0.050146993737375 0.405934253683479 -0.092706405165802 -0.021590643743600 -0.169199657996867
19 -0.016242251272405 0.125990779121228 0.356595532526204 0.001247183091851 -0.076918906448113
20 1.260794221421254 -0.048473220599617 0.011392703868338 0.374897045526811 -0.039988334664495
21 -0.048571666205883 1.407360188315143 0.057819810227569 -0.009247203126637 0.350987968808940
22 0.011173122188634 0.058989759664691 1.209706737710860 0.006137486454594 0.065219185123878
23 0.373770729421350 -0.008573418905836 0.007091507511336 1.248880355326654 -0.008464925480784
24 -0.038933922287749 0.348317027696417 0.065392764945359 -0.007939871198989 1.357788320467452
25 -0.004782524413459 -0.091674161785076 0.260635727860226 0.083293129852405 0.045508897465060
26 -0.163927500254356 0.059049402987996 -0.024286580828722 0.305096545219176 -0.040252250671201
27 0.002780152756111 0.252294187407986 -0.010618055182725 0.007949539677128 -0.369897533085425
28 0.009866548327836 0.041339683163936 0.083006134765376 -0.036245731010063 -0.010412775077523
29 -0.100484326452157 -0.025391116671404 0.041480721340348 -0.176618807112389 0.061675321051257
30 -0.027392393834836 -0.100815863696025 -0.002659514747137 -0.042267672010562 -0.189337837254206
31 -0.022820556173972 -0.068280508788415 -0.101683183602127 -0.028088973333146 -0.066250583539579
32 -0.012677114370661 0.007880331369722 -0.084578693212476 -0.091102242019627 -0.010320922034550
25 26 27 28 29
0 -0.010601992930574 -0.001009019670529 0.004250535095488 -0.002538559738434 0.001480751951009
1 -0.001056374504258 -0.023579089776749 0.004617997649329 -0.002324013319475 0.002605575558288
2 0.004312750231364 0.000927762880688 0.006069459621864 -0.003703347400659 -0.001000126862606
3 0.033654839309791 0.009088954646258 -0.018777328833931 -0.006672043596602 -0.009255228526202
4 -0.005107611155668 0.078382890847738 -0.031871260513591 0.010010754485534 -0.002397151653067
5 -0.011082898815375 -0.005613865462960 -0.019247166180155 0.017819367267302 0.000048948941914
6 -0.085393397255761 0.005529946276582 -0.027859036897046 -0.069502623825205 -0.027270149115586
7 -0.029708109378007 -0.043601851764138 -0.057501952775763 0.004121737561781 0.035276890685890
8 -0.034603156472098 0.009960622533510 -0.044781726941618 -0.002791548816642 0.025995856905872
9 0.135440096345598 0.008323073987020 0.026048339610950 0.045742655917021 0.019473206865999
10 0.012806753729015 -0.049058907179482 -0.038504572275151 0.010888252049701 0.005870732871134
11 0.017541621365649 -0.034427241185367 0.053802548906314 -0.038967977236541 -0.037885166713094
12 0.146448987238820 0.009958430294653 -0.004652260446833 -0.025197523091124 0.001897269995544
13 0.079966781928992 -0.014169018540041 -0.014410321754373 -0.013008013415563 -0.050289889772873
14 0.016689791533030 0.029091571463293 0.019948700296816 -0.016414603071861 0.060434132112492
15 -0.093339549081219 -0.002600790749471 0.017074889330189 0.012730671069016 0.032591020616175
16 0.255927898409378 0.083652368824932 0.073463459675561 0.017204038433823 -0.031683223571666
17 -0.087608986474959 -0.072548174092630 -0.039800713782940 0.032044938465343 0.019409103766104
18 -0.078054396640403 0.000927286930800 0.094961496915461 0.049728805212411 -0.062808331364801
19 -0.180255505896999 -0.010633278936948 -0.067669977349933 0.157323940308908 -0.056484449904150
20 -0.005456610890874 -0.164210674618481 0.002112488230137 0.009358235194736 -0.099241199041020
21 -0.091484576272420 0.059578775831380 0.250937957244466 0.040716741095318 -0.025944018609678
22 0.258092395383870 -0.025222741966958 -0.011623349242727 0.082777686780240 0.041356006985331
23 0.082219879691631 0.305194927977226 0.006970402178308 -0.034919579287875 -0.177276621253128
24 0.043878193929328 -0.039318617597244 -0.369680143673680 -0.011813351305671 0.061085184359565
25 1.226401995666621 -0.032477535263341 -0.100984396190564 -0.377043494704812 0.028487445829816
26 -0.031786004286150 1.285189482506358 -0.018117465049526 0.025046362189918 0.229541329748744
27 -0.100759423604777 -0.018352724512458 1.403131260393752 0.126737111812956 0.004758652782277
28 -0.376508283974562 0.025057559439425 0.125646370663151 1.212683617038609 0.006891692878498
29 0.027258063092246 0.229242413230386 0.006134652873411 0.007446426936750 1.384981795747630
30 -0.001652332957400 -0.003936277112872 -0.360727694540534 -0.117370188267630 -0.041158902581100
31 -0.157435931161633 0.034941659245750 0.118908104987855 -0.311166807158155 -0.002167502377021
32 -0.067600858018326 -0.133222872235976 0.011365059104419 0.029970629971511 0.323231408616235
30 31 32
0 -0.000356704761875 -0.005170102225467 -0.002759183542857
1 -0.000501805464574 0.005817670158581 0.017785410400806
2 0.000666661802796 -0.006793591507212 -0.001663889810517
3 -0.004344834723780 0.012895511525544 0.014333558274011
4 0.000154679846430 -0.016723000389270 -0.052426491709909
5 0.000922441341197 0.028576469125947 -0.001149760629228
6 -0.035305059219990 -0.049023473697610 0.023172616901378
7 -0.007218086245632 0.021156856840983 0.041980819887503
8 -0.029302397421546 -0.003604487919189 0.006742483854851
9 0.046729390063203 0.065967726028613 -0.022408451434759
10 0.002428542189501 0.048139944275992 0.028513800380314
11 -0.002032612612965 -0.046531041050570 0.008229770160557
12 0.034456726667323 0.048765021819336 -0.001676990764821
13 -0.015566455381760 0.013560662367351 0.025385288286055
14 0.121642354902886 0.002382783219078 -0.023275987720056
15 -0.004534836243916 -0.037519340506277 -0.008676897811483
16 0.038503045316510 -0.160710649887673 0.083623632643318
17 -0.070214317316829 0.055212044251305 0.008291263027106
18 0.024706740487100 -0.012756694773883 0.009529365598667
19 -0.034136167714637 0.074378400941312 -0.015920034569900
20 -0.028247857938437 -0.020538046037664 -0.012772563437383
21 -0.101550083836403 -0.069874039336661 0.009000814487661
22 -0.003561069427886 -0.099440225283621 -0.085290919160578
23 -0.042447903203495 -0.028081268045230 -0.091531531471149
24 -0.189602966067247 -0.068898765768359 -0.010346368369683
25 -0.001542490140983 -0.157489631193863 -0.068641736847868
26 -0.004461189597529 0.035890938565464 -0.131993226913276
27 -0.361244232762994 0.117568807700577 0.010500624712248
28 -0.118320571980250 -0.311483408278779 0.030917086036182
29 -0.040764189877100 -0.001855738409457 0.322863555089556
30 1.436493489165580 0.082025593968896 0.067379423746627
31 0.083263122233864 1.254870667322000 -0.027257255608441
32 0.068101271158169 -0.027949315021900 1.303707432657346
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000811650798
Norm of residual vector 0 after precondition 0.0000811650798
1 0.1239050726 1.65e-07 8.12e-05 N
Norm of residual vector af preconditioning 0.0000473160537
Norm of residual vector 1 before precondition 0.0007736651016
Norm of residual vector 1 after precondition 0.0007736651016
2 0.1970639657 -7.29e-07 7.74e-04 N
Norm of residual vector af preconditioning 0.0004898457859
Norm of residual vector 2 before precondition 0.0001532399562
Norm of residual vector 2 after precondition 0.0001532399562
3 0.2372438773 3.35e-08 1.53e-04 N
Norm of residual vector af preconditioning 0.0001020052592
Iter=12 L=36 resetting norm
SigmaSS, D(norm sigma)= 0.3051237785
FSD , D(norm sigma)= -0.0000705237
WamefSD, D(norm sigma)= 0.0086831306
WmnieSD, D(norm sigma)= -0.0040796809
WmaijDS, D(norm sigma)= 0.0135545934
WabejDS, D(norm sigma)= 0.0013210166
WnmjeDS, D(norm sigma)= -0.0000011227
WbmfeDS, D(norm sigma)= -0.0000014465
Fbe_FDD , D(norm sigma)= 0.7702530760
Fmj_DD, D(norm sigma)= 0.8913166068
WmnijDD, D(norm sigma)= 0.4482986996
WabefDD, D(norm sigma)= 0.2582720745
WmbejDD, D(norm sigma)= -0.9938905436
WmnefDD XAF, D(norm sigma)= 0.0011717723
WmnefDD XLI, D(norm sigma)= 0.0004354232
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3563322598
FSD , D(norm sigma)= -0.0000456314
WamefSD, D(norm sigma)= 0.0119243922
WmnieSD, D(norm sigma)= 0.0119240829
WmaijDS, D(norm sigma)= 0.0166492967
WabejDS, D(norm sigma)= 0.0024644014
WnmjeDS, D(norm sigma)= -0.0000136177
WbmfeDS, D(norm sigma)= -0.0000040064
Fbe_FDD , D(norm sigma)= 0.7627583962
Fmj_DD, D(norm sigma)= 0.8493792428
WmnijDD, D(norm sigma)= 0.4024605177
WabefDD, D(norm sigma)= 0.2294538498
WmbejDD, D(norm sigma)= -0.9989030826
WmnefDD XAF, D(norm sigma)= 0.0011341682
WmnefDD XLI, D(norm sigma)= 0.0000852644
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2545576101
FSD , D(norm sigma)= -0.0000156065
WamefSD, D(norm sigma)= 0.0030809433
WmnieSD, D(norm sigma)= 0.0114736078
WmaijDS, D(norm sigma)= 0.0101105037
WabejDS, D(norm sigma)= 0.0020747288
WnmjeDS, D(norm sigma)= 0.0000652727
WbmfeDS, D(norm sigma)= 0.0000340624
Fbe_FDD , D(norm sigma)= 0.6918944058
Fmj_DD, D(norm sigma)= 0.9078488781
WmnijDD, D(norm sigma)= 0.4426199233
WabefDD, D(norm sigma)= 0.2064291592
WmbejDD, D(norm sigma)= -1.0032141473
WmnefDD XAF, D(norm sigma)= 0.0007810612
WmnefDD XLI, D(norm sigma)= 0.0000611445
resetting norm
The G Matrix
0 1 2 3 4
0 0.194100936333467 0.000306577660943 0.000050433943665 -0.318183687114581 -0.001556945727390
1 -0.000000000000000 0.308295418936790 0.000073175889496 -0.000462576578605 -0.277320095849183
2 0.000000000000000 0.000000000000000 0.371007063266953 -0.010886667190544 0.016623320760043
3 -0.299718172746006 -0.001436240402756 -0.008984724182633 1.688260049437391 0.005757846815323
4 -0.001520897091998 -0.252736266682885 0.016171456190726 0.005995455172407 1.289690928383917
5 0.000929437548044 0.006074943011113 -0.244270358413801 -0.021828399121030 -0.032868192221685
6 -0.024535706566891 -0.002833857676679 -0.003114835668961 0.404492949573959 0.025717144364827
7 -0.002902151439153 0.014442820441633 0.000298974864923 0.012193817165429 0.170076560834654
8 0.009673994868275 0.002106704226987 -0.013587344063205 -0.046270564294307 0.007048433984947
9 -0.034792056691795 -0.002105196369105 0.001035775122477 0.132272980950728 0.003402855143045
10 -0.004120880865273 0.037826777753943 -0.001568978269621 0.025868880842127 -0.161342258779619
11 -0.001575438473204 -0.007624768976767 0.042542891969297 0.013188833362436 0.037071239872568
12 -0.026114950972727 -0.003340445985572 -0.006930321759436 0.188882792704741 0.026692516385598
13 -0.003600912696440 0.008282506124465 0.000193874487246 0.033174004368518 -0.090856534788761
14 -0.007181408309910 0.000573842160187 -0.004675220086707 0.043599375813839 0.005211307386988
15 0.018066342169160 -0.002432957159644 0.006260760016775 -0.148965288973393 0.003069942582448
16 0.004425908342980 0.003474400242582 0.007407334701752 -0.037193486097294 -0.003246478903269
17 -0.001078695026997 0.019022428793271 -0.004807909202829 0.006265654694236 -0.065807377238702
18 0.020198801417722 0.002670651925083 0.002006616853969 -0.096317078737271 -0.012404959435748
19 0.011152794223415 -0.000750462464040 -0.011399310668426 -0.060773837584305 -0.001411614915959
20 0.006302958385319 0.006880384882100 0.003146819399809 -0.031316249619733 -0.053589400968123
21 0.000862960298177 -0.000297515388671 0.004964412026118 -0.034900057038764 -0.001747227706983
22 0.016113903890164 -0.000498378911640 0.002109583207340 -0.096199866287397 0.003123457186457
23 0.000861851676937 0.002908678899946 -0.002491085646391 -0.010551365718923 -0.018748575507809
24 -0.008612015119539 -0.001482472135804 0.002766809965436 0.047192726610183 0.008037584655990
25 -0.011193726971489 -0.001006906547656 0.002807981398588 0.033535800277789 -0.004493924322198
26 -0.002102688490527 -0.022940030636392 0.000888757445532 0.009985518326780 0.081510393735907
27 0.002277492545989 0.004894750826254 0.005964736406027 -0.018037118893106 -0.031806127846836
28 -0.002464134520201 -0.002932052946171 -0.003942808664571 -0.006578634179591 0.009972221472934
29 0.001034625797996 0.002839052960782 -0.001125181167912 -0.010319844513189 -0.003207424204361
30 -0.000044134529775 -0.000913477185220 0.001112696735459 -0.004602206965185 0.000932048232642
31 -0.004434084328225 0.005330923643117 -0.006372148298676 0.012884485346448 -0.017577775159767
32 -0.002167520673526 0.016430628023207 -0.000798788646245 0.014715888882919 -0.053973154489912
33 -0.012309508768822 -0.003803571319360 -0.002476299147752 0.063817422333094 0.014190513959601
34 -0.000974032820926 0.004056586215474 0.003751888827099 -0.003527724325223 -0.005852773999911
35 -0.005106929633687 0.000587139561801 0.000991219664505 0.027222798115341 0.004680646520838
5 6 7 8 9
0 0.000694553321658 -0.023534221416565 -0.003324376665100 0.011339489904660 -0.035021219919570
1 0.005612129464447 -0.004415925393421 0.018381680953146 0.003699790135994 -0.003840130626909
2 -0.267486330429720 -0.002235909826695 -0.000614028647279 -0.017300484857411 0.003050979576058
3 -0.021966448808971 0.397017406122317 0.012837718801958 -0.046934335196566 0.133498363324441
4 -0.033032102959648 0.026046997379311 0.166122955661329 0.007223440116316 0.003873737272822
5 1.360947111868654 0.030397525079416 -0.012030446181927 -0.160785898514004 -0.015873964672137
6 0.030860676006527 1.037372277609788 -0.030035561319416 0.013529605691711 -0.533891277279130
7 -0.011259809331177 -0.030524417892996 1.136639695252982 0.128725584300394 -0.047584321668039
8 -0.165375500500898 0.013354175770092 0.128476686501225 1.124457735142912 -0.024532713159349
9 -0.015623243699260 -0.532361238440534 -0.047101262639220 -0.023534748859036 0.955738109262282
10 -0.002384048383152 -0.001719706694494 0.251127955602593 -0.004795083199245 0.015757508374509
11 -0.178542416094912 -0.005938040156103 -0.023061129677334 -0.278544765592282 0.020523505353091
12 0.026854832349933 0.158710775461897 0.031956326290408 0.006299390135292 0.425523042730931
13 -0.022386704132947 0.064268719731963 -0.204317788317128 0.039233880920209 -0.012799794986999
14 0.077910001817269 -0.018342557175638 0.006715202015487 -0.178945407298781 0.090791142501576
15 -0.033552477659694 -0.278047366031875 -0.015768746542803 0.013055920010167 0.202976101076564
16 -0.006692677778815 0.028666014448737 0.063843044233837 -0.095448126969656 -0.113492009812872
17 0.011733337346996 -0.028980193159376 0.098623871958243 0.036046817913543 0.065160093572564
18 0.005272599473788 0.066035746761473 -0.002612807222971 -0.033798984901224 -0.228443229732953
19 0.043739218459100 -0.024484660919324 -0.028095911646765 0.063856892753530 0.023126751949127
20 -0.011444479912944 -0.008393660678166 -0.096314435053220 -0.006292756205719 0.022448102613402
21 -0.021907886447960 -0.113166180342105 0.001027785147529 -0.010402839973210 0.047785926606316
22 0.004035100147860 -0.070515891470109 0.006056958660623 -0.038583357209132 0.041425397229221
23 0.009259384575069 -0.022805106367319 -0.041562524369435 0.001197047661682 0.024473534952457
24 -0.019797908500739 0.003517123219533 0.016227153347790 0.019515596036532 0.038304783200821
25 -0.011263224446587 -0.084210273633177 -0.027935688836981 -0.034914201945193 0.134545004787566
26 -0.005574260964069 0.005087849879495 -0.043571317453400 0.010389899299909 0.007576293565628
27 -0.019138173465479 -0.028006248447543 -0.055037975330090 -0.044257577109917 0.021479434215357
28 0.018427949980089 -0.066450925915524 0.004312445137218 -0.003262065229744 0.045014428822896
29 0.000619906944726 -0.027115527647829 0.035689199445119 0.025910436179967 0.019704492856289
30 0.001940062724187 -0.032153361566146 -0.005938277008806 -0.029804374364842 0.046809744040112
31 0.028515498379066 -0.048159046365518 0.021013639846651 -0.001761382059228 0.062780083858819
32 -0.001148417182092 0.022713069625322 0.042558360815579 0.007579119721730 -0.022838288825001
33 0.010960078597493 0.004896509940160 -0.003768223265227 -0.020189866162499 0.029309727108139
34 -0.012687235692986 -0.029002864633337 0.041343146333965 -0.008511965957286 0.012118597891153
35 -0.005571501855379 0.008190063177772 0.024857436614234 -0.000058289536845 0.010886578782595
10 11 12 13 14
0 -0.002800753777955 -0.000390942345706 -0.027547608659944 -0.005473883988918 -0.006662323778125
1 0.044367810202119 -0.010241731186339 -0.003654170068792 0.007814911765467 -0.000117863552186
2 -0.003545837937918 0.048751617665196 -0.008475121665033 0.000696103527245 -0.005562457487975
3 0.024422340584729 0.013287930406086 0.187257446805473 0.034322294161863 0.045801273330567
4 -0.161186220698090 0.037205043528211 0.025405209488574 -0.087456910307340 0.007995724467804
5 -0.001579329251392 -0.177317732123349 0.028312728143053 -0.023443072884993 0.075670075064796
6 -0.002186747878456 -0.007384132308134 0.158649664467194 0.064757470109729 -0.020730512130086
7 0.251651324699910 -0.022155548346066 0.030437599114599 -0.204097373916259 0.008145219569919
8 -0.005608240462846 -0.278975613647629 0.006736961391499 0.039255291801739 -0.177716786674490
9 0.016971385297803 0.020026768007580 0.427706961989992 -0.013261139317197 0.089605993076640
10 1.114317823254510 -0.109289479404642 0.002664298692013 0.319247509595947 0.094445878011337
11 -0.109637126601914 1.194969065310894 0.057573888404605 -0.018943941788915 -0.292869197066370
12 0.001355810578766 0.057342939800190 1.237424111251944 0.013328984396485 0.089954789196389
13 0.320664205757259 -0.017886768524020 0.012822269202871 1.108981429534547 0.085530984848941
14 0.093236740470143 -0.293974736363371 0.090331200223861 0.085102501682289 1.042853176591056
15 0.004684951368253 0.018799023391413 -0.419511717476543 -0.020961093385943 0.068241239915845
16 0.012289865270075 -0.071889422536875 -0.092834194910589 -0.087204117809036 0.079263369965594
17 0.166106353763545 -0.027836968661318 0.059872316016066 -0.341454164584917 -0.144183168830894
18 0.012232314678739 -0.012396750958446 -0.239891808132255 -0.006261650224874 0.018438515404552
19 -0.061029727335803 -0.087477321306985 -0.021421626327680 -0.007045015962638 -0.123773344371094
20 0.075671737195753 -0.038120872620823 0.018983678771750 0.171721381381104 0.078822265683834
21 0.027078736956825 0.008753166088038 -0.127704034674812 0.033066383207005 -0.025605719273758
22 0.003788533811991 -0.019110312481116 0.002749787051723 -0.036658054712357 0.086816906797796
23 -0.046135713916248 0.005532531190988 0.014066835143304 0.077675500731723 -0.008328019279881
24 0.017914599968749 0.003343425997661 0.035411295426339 0.005121278245770 0.048201361145071
25 0.011781410623855 0.017847592664844 0.144710544099215 0.080562658054716 0.015913276825136
26 -0.049765064934464 -0.033797784691864 0.009727628281501 -0.012678811458344 0.030050359886787
27 -0.038017481647126 0.054896387577303 -0.006018523008974 -0.013055958490746 0.021022064475922
28 0.010015687200675 -0.039289769929267 -0.026667397050606 -0.013719218110075 -0.018689757030880
29 0.005713576098660 -0.037871752536491 0.001370294953816 -0.049271828165351 0.060014657334239
30 0.002248894550116 -0.001780339842644 0.034273213602082 -0.015404577523578 0.120684262442169
31 0.046092566236419 -0.045821435262993 0.047790405483091 0.014488795203426 0.003756121868132
32 0.026883208304111 0.008887680270980 -0.001501423743160 0.024645019986293 -0.023329168411397
33 -0.005948638352660 0.018842612412064 0.042696590347996 -0.010343366934918 0.047867721556403
34 0.025077623493175 0.013323453142577 0.007943547529572 0.001707368518766 -0.033939160033829
35 0.000165203669841 0.016932361924132 0.040140834023210 -0.019598180684565 -0.025300155347947
15 16 17 18 19
0 0.019796774600438 0.004549513812837 -0.001382685546489 0.021261024963743 0.010217475942387
1 -0.002969981584930 0.004438158607260 0.021855223113620 0.003233326201746 -0.001210178214676
2 0.005673475988019 0.010481922971193 -0.005037950558058 0.001126799926156 -0.011616123963682
3 -0.146583957543570 -0.036923331227078 0.008068440931839 -0.095132233606507 -0.060274707389885
4 0.003713244886419 -0.002378133234757 -0.064904966168255 -0.011558942555302 -0.001004470150518
5 -0.033161992248049 -0.007849390393472 0.010894211082335 0.004176722049416 0.043474320266302
6 -0.278810277629651 0.029601499398036 -0.030472509919028 0.070424162708050 -0.025661716136823
7 -0.015374779101676 0.064527773403635 0.098273310938914 -0.002783249159549 -0.028719711338777
8 0.013976728804945 -0.095584552708960 0.036413434690940 -0.032390058912143 0.064100863355285
9 0.203115755998430 -0.113109060278659 0.063214910708784 -0.228851695237582 0.020224974774810
10 0.004971824470414 0.013093119647262 0.163941381373564 0.013289404135866 -0.061087437715631
11 0.018865391196404 -0.070993131500647 -0.026771944775822 -0.011109179632336 -0.086311929424496
12 -0.418874288496021 -0.093240041985573 0.060090757488700 -0.239715496985044 -0.023090898773387
13 -0.020169165953986 -0.087561924055905 -0.341826879645942 -0.008512219360042 -0.008521862207410
14 0.071484644968660 0.079636852169673 -0.143749169596291 0.017728566359802 -0.121700123365940
15 1.316154925470086 0.012295492812520 0.040603262237646 -0.451509195043577 0.069283992626744
16 0.009545680158780 0.991597900031015 0.003703465397125 -0.061148423385335 -0.209476324219493
17 0.042488556141640 0.005119648168098 1.252491022466186 -0.037038221432198 -0.044125861243397
18 -0.453605638157581 -0.060866429469763 -0.036747509881828 1.332300578554835 0.123081845455875
19 0.071532845180269 -0.205793220922343 -0.044329344917053 0.126113704615810 1.095898910467777
20 0.008759934269825 0.008150069176231 0.346352085182431 0.051520518136293 -0.016423814194625
21 0.139995264761322 0.034586375544808 -0.023183633969035 0.405480503942849 0.127482220429430
22 0.087086019119800 0.038635488132289 0.041172629934012 -0.090006868638259 0.352941202894045
23 0.003526774015544 0.011358836101807 -0.180842770121353 -0.022442166616829 0.000546182868752
24 0.098553179280450 0.016780921726709 -0.039241689593684 -0.167716110189775 -0.075258710302231
25 -0.092778299999232 0.254266558372005 -0.085630633492645 -0.080631332622522 -0.177969135404511
26 -0.002398480232311 0.082684981345884 -0.073215425905908 0.000971006567425 -0.010473697096617
27 0.016599460071028 0.071804578534800 -0.037475337335212 0.094184200329833 -0.066132125918476
28 0.014888155035133 0.017108098308497 0.031900704885355 0.051550283982002 0.156886031078753
29 0.032002785385765 -0.031691384802898 0.021108840994289 -0.063926602307282 -0.057020698163473
30 -0.003687156364273 0.038236022982341 -0.070032995783046 0.025280719935378 -0.034439906091117
31 -0.037317481278286 -0.160650184620851 0.056316424681105 -0.013705551129525 0.073608692954675
32 -0.007952560976019 0.083895265080900 0.008620202201755 0.009488996336639 -0.014965894434228
33 -0.054098234555438 -0.048483501895566 -0.025267091178556 0.035580563607755 0.026543342444285
34 -0.042194885422069 -0.041999745795785 0.052915403632615 -0.016437807632482 -0.038220696818109
35 -0.050140898893727 0.024581665578285 0.033881063738213 0.033121694587895 0.029279722493761
20 21 22 23 24
0 0.006997224632518 -0.000179578955512 0.018014942480471 0.000112388060655 -0.007371629416279
1 0.007307361097453 0.000741165643024 -0.000982036151900 0.000686383589603 -0.001982103014579
2 0.003566370402071 0.005148675110432 0.001920569570355 -0.002676376124672 0.002778678503021
3 -0.031703095563640 -0.035787732665785 -0.095278139726144 -0.010131855711637 0.046834114197064
4 -0.053963570525785 -0.001873808618168 0.002980428429359 -0.017599672483755 0.008920896496695
5 -0.010597732896514 -0.021172923121221 0.003045440500478 0.009232810050221 -0.020135362448252
6 -0.009033851317933 -0.113114270864338 -0.072874238438417 -0.023363393257699 0.003675997490424
7 -0.097046246106241 0.002672186375645 0.006183076222925 -0.041714594400510 0.015142527324514
8 -0.006150395049679 -0.012068666669678 -0.038796461717100 0.001199566521868 0.020555665157529
9 0.022352722931888 0.051697164066280 0.039522862347859 0.024785707666122 0.038095738031791
10 0.074045903803767 0.026584767839144 0.004116601258426 -0.046951893424354 0.016427182208704
11 -0.037147767292211 0.007965063900791 -0.017047455762081 0.005799928786169 0.002302852383089
12 0.018094781123491 -0.124926736585031 0.000934540268777 0.013734971898091 0.035913675622861
13 0.171172888704621 0.035049555986077 -0.037432277179092 0.077732394654061 0.004880854361437
14 0.080296386216457 -0.026685810231596 0.089921578854239 -0.008815707013384 0.048402956199979
15 0.008368411119004 0.139618124203445 0.086946789767376 0.002963637236031 0.099645385609405
16 0.006913733054389 0.036262963075692 0.033365170031102 0.009877271745768 0.016848197551164
17 0.348323677653153 -0.023267407097697 0.043801702993736 -0.181300020336858 -0.039260110829517
18 0.050146993737375 0.405934253683479 -0.092706405165802 -0.021590643743600 -0.169199657996867
19 -0.016242251272405 0.125990779121228 0.356595532526204 0.001247183091851 -0.076918906448113
20 1.260794221421254 -0.048473220599617 0.011392703868338 0.374897045526811 -0.039988334664495
21 -0.048571666205883 1.407360188315143 0.057819810227569 -0.009247203126637 0.350987968808940
22 0.011173122188634 0.058989759664691 1.209706737710860 0.006137486454594 0.065219185123878
23 0.373770729421350 -0.008573418905836 0.007091507511336 1.248880355326654 -0.008464925480784
24 -0.038933922287749 0.348317027696417 0.065392764945359 -0.007939871198989 1.357788320467452
25 -0.004782524413459 -0.091674161785076 0.260635727860226 0.083293129852405 0.045508897465060
26 -0.163927500254356 0.059049402987996 -0.024286580828722 0.305096545219176 -0.040252250671201
27 0.002780152756111 0.252294187407986 -0.010618055182725 0.007949539677128 -0.369897533085425
28 0.009866548327836 0.041339683163936 0.083006134765376 -0.036245731010063 -0.010412775077523
29 -0.100484326452157 -0.025391116671404 0.041480721340348 -0.176618807112389 0.061675321051257
30 -0.027392393834836 -0.100815863696025 -0.002659514747137 -0.042267672010562 -0.189337837254206
31 -0.022820556173972 -0.068280508788415 -0.101683183602127 -0.028088973333146 -0.066250583539579
32 -0.012677114370661 0.007880331369722 -0.084578693212476 -0.091102242019627 -0.010320922034550
33 0.014053745814837 -0.089197709741631 -0.040834167922517 0.019047079273854 0.011235951868870
34 0.044992651962140 -0.061086669804711 0.027193750502775 0.063427437240864 -0.000834834441952
35 -0.051242388384576 0.037331988501287 -0.015956056400509 -0.077330630064887 0.044248266649804
25 26 27 28 29
0 -0.010601992930574 -0.001009019670529 0.004250535095488 -0.002538559738434 0.001480751951009
1 -0.001056374504258 -0.023579089776749 0.004617997649329 -0.002324013319475 0.002605575558288
2 0.004312750231364 0.000927762880688 0.006069459621864 -0.003703347400659 -0.001000126862606
3 0.033654839309791 0.009088954646258 -0.018777328833931 -0.006672043596602 -0.009255228526202
4 -0.005107611155668 0.078382890847738 -0.031871260513591 0.010010754485534 -0.002397151653067
5 -0.011082898815375 -0.005613865462960 -0.019247166180155 0.017819367267302 0.000048948941914
6 -0.085393397255761 0.005529946276582 -0.027859036897046 -0.069502623825205 -0.027270149115586
7 -0.029708109378007 -0.043601851764138 -0.057501952775763 0.004121737561781 0.035276890685890
8 -0.034603156472098 0.009960622533510 -0.044781726941618 -0.002791548816642 0.025995856905872
9 0.135440096345598 0.008323073987020 0.026048339610950 0.045742655917021 0.019473206865999
10 0.012806753729015 -0.049058907179482 -0.038504572275151 0.010888252049701 0.005870732871134
11 0.017541621365649 -0.034427241185367 0.053802548906314 -0.038967977236541 -0.037885166713094
12 0.146448987238820 0.009958430294653 -0.004652260446833 -0.025197523091124 0.001897269995544
13 0.079966781928992 -0.014169018540041 -0.014410321754373 -0.013008013415563 -0.050289889772873
14 0.016689791533030 0.029091571463293 0.019948700296816 -0.016414603071861 0.060434132112492
15 -0.093339549081219 -0.002600790749471 0.017074889330189 0.012730671069016 0.032591020616175
16 0.255927898409378 0.083652368824932 0.073463459675561 0.017204038433823 -0.031683223571666
17 -0.087608986474959 -0.072548174092630 -0.039800713782940 0.032044938465343 0.019409103766104
18 -0.078054396640403 0.000927286930800 0.094961496915461 0.049728805212411 -0.062808331364801
19 -0.180255505896999 -0.010633278936948 -0.067669977349933 0.157323940308908 -0.056484449904150
20 -0.005456610890874 -0.164210674618481 0.002112488230137 0.009358235194736 -0.099241199041020
21 -0.091484576272420 0.059578775831380 0.250937957244466 0.040716741095318 -0.025944018609678
22 0.258092395383870 -0.025222741966958 -0.011623349242727 0.082777686780240 0.041356006985331
23 0.082219879691631 0.305194927977226 0.006970402178308 -0.034919579287875 -0.177276621253128
24 0.043878193929328 -0.039318617597244 -0.369680143673680 -0.011813351305671 0.061085184359565
25 1.226401995666621 -0.032477535263341 -0.100984396190564 -0.377043494704812 0.028487445829816
26 -0.031786004286150 1.285189482506358 -0.018117465049526 0.025046362189918 0.229541329748744
27 -0.100759423604777 -0.018352724512458 1.403131260393752 0.126737111812956 0.004758652782277
28 -0.376508283974562 0.025057559439425 0.125646370663151 1.212683617038609 0.006891692878498
29 0.027258063092246 0.229242413230386 0.006134652873411 0.007446426936750 1.384981795747630
30 -0.001652332957400 -0.003936277112872 -0.360727694540534 -0.117370188267630 -0.041158902581100
31 -0.157435931161633 0.034941659245750 0.118908104987855 -0.311166807158155 -0.002167502377021
32 -0.067600858018326 -0.133222872235976 0.011365059104419 0.029970629971511 0.323231408616235
33 -0.019012107605903 0.023272442787714 -0.152044172180986 -0.073507541210891 -0.013047850623379
34 0.172179063515185 0.021280659873482 -0.091296931833934 -0.164056416269395 -0.012387553566305
35 -0.032696698756411 0.048080269941218 -0.026911909714190 0.008249807912987 0.168529856044677
30 31 32 33 34
0 -0.000356704761875 -0.005170102225467 -0.002759183542857 -0.014457195802848 -0.001965538279807
1 -0.000501805464574 0.005817670158581 0.017785410400806 -0.003699034368202 0.004700386794927
2 0.000666661802796 -0.006793591507212 -0.001663889810517 -0.001609144521593 0.003133958918877
3 -0.004344834723780 0.012895511525544 0.014333558274011 0.063328418944337 -0.003813676642436
4 0.000154679846430 -0.016723000389270 -0.052426491709909 0.013892355958473 -0.004777553642541
5 0.000922441341197 0.028576469125947 -0.001149760629228 0.011104422104992 -0.012218209126647
6 -0.035305059219990 -0.049023473697610 0.023172616901378 0.002941344891341 -0.029649818129097
7 -0.007218086245632 0.021156856840983 0.041980819887503 -0.003246913717653 0.042271770217147
8 -0.029302397421546 -0.003604487919189 0.006742483854851 -0.020694678048618 -0.008552281838184
9 0.046729390063203 0.065967726028613 -0.022408451434759 0.028821797908779 0.012205523688153
10 0.002428542189501 0.048139944275992 0.028513800380314 -0.005794622587530 0.026276498175921
11 -0.002032612612965 -0.046531041050570 0.008229770160557 0.019026576020885 0.013925096904232
12 0.034456726667323 0.048765021819336 -0.001676990764821 0.042724757973906 0.008783494807047
13 -0.015566455381760 0.013560662367351 0.025385288286055 -0.009956411135175 0.001663531289130
14 0.121642354902886 0.002382783219078 -0.023275987720056 0.048055567289564 -0.033142545110039
15 -0.004534836243916 -0.037519340506277 -0.008676897811483 -0.053626083676938 -0.042132470762133
16 0.038503045316510 -0.160710649887673 0.083623632643318 -0.049716185312774 -0.042763185224708
17 -0.070214317316829 0.055212044251305 0.008291263027106 -0.025315481101526 0.054538514282309
18 0.024706740487100 -0.012756694773883 0.009529365598667 0.034683596771222 -0.017164927823176
19 -0.034136167714637 0.074378400941312 -0.015920034569900 0.026334265670840 -0.037198994544337
20 -0.028247857938437 -0.020538046037664 -0.012772563437383 0.014678162127038 0.045642288555012
21 -0.101550083836403 -0.069874039336661 0.009000814487661 -0.088427208137295 -0.061243132084361
22 -0.003561069427886 -0.099440225283621 -0.085290919160578 -0.040315331869026 0.027671930122290
23 -0.042447903203495 -0.028081268045230 -0.091531531471149 0.019452148378855 0.064318276773196
24 -0.189602966067247 -0.068898765768359 -0.010346368369683 0.011113338029374 -0.002715542535476
25 -0.001542490140983 -0.157489631193863 -0.068641736847868 -0.017924499682628 0.172462087591892
26 -0.004461189597529 0.035890938565464 -0.131993226913276 0.023378808549461 0.021876411569842
27 -0.361244232762994 0.117568807700577 0.010500624712248 -0.152456685650300 -0.091124086050082
28 -0.118320571980250 -0.311483408278779 0.030917086036182 -0.072213824699899 -0.165652540717562
29 -0.040764189877100 -0.001855738409457 0.322863555089556 -0.012092870528482 -0.012328513204986
30 1.436493489165580 0.082025593968896 0.067379423746627 -0.350896248173295 0.079735267031279
31 0.083263122233864 1.254870667322000 -0.027257255608441 -0.084938860679001 -0.320149300915408
32 0.068101271158169 -0.027949315021900 1.303707432657346 0.076224398710999 -0.055965511006216
33 -0.350592123644012 -0.085702334268635 0.075495122060136 1.433305057965235 0.116653425900637
34 0.080920876384325 -0.319620050740341 -0.055605491915159 0.118107434047564 1.343156147233454
35 -0.026418107231615 0.015616772482558 -0.289105623015390 -0.047141866920796 -0.015626571852756
35
0 -0.005793454512038
1 -0.000452362368947
2 0.001152265311992
3 0.027016769401637
4 0.003799754524783
5 -0.004923810113940
6 0.009540136400467
7 0.024842839947907
8 -0.000657562113948
9 0.010964599866861
10 0.000265312602215
11 0.017688983655375
12 0.040412251707785
13 -0.019059109921099
14 -0.025922217010440
15 -0.050324321608675
16 0.025618325599467
17 0.033272734053428
18 0.034893180369811
19 0.028973259088418
20 -0.051023520643033
21 0.037296708867655
22 -0.016549043911641
23 -0.076956986661951
24 0.044197840547690
25 -0.032880857902967
26 0.048852386240110
27 -0.026886861272903
28 0.009056939231041
29 0.169075700578877
30 -0.026328043632229
31 0.015972952702683
32 -0.289688531068387
33 -0.047068190665353
34 -0.016156713974196
35 1.313505010670000
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000256517770
Norm of residual vector 0 after precondition 0.0000256517770
1 0.1239050353 -3.73e-08 2.57e-05 N
Norm of residual vector af preconditioning 0.0000145003158
Norm of residual vector 1 before precondition 0.0002743930623
Norm of residual vector 1 after precondition 0.0002743930623
2 0.1970651314 1.17e-06 2.74e-04 N
Norm of residual vector af preconditioning 0.0001733539843
Norm of residual vector 2 before precondition 0.0000593878961
Norm of residual vector 2 after precondition 0.0000593878961
3 0.2372438505 -2.68e-08 5.94e-05 N
Norm of residual vector af preconditioning 0.0000404466402
alpha
1 2 3 4 5 6 7 8 9 10
1 0.9337839 0.3321984 0.0205918 -0.0179119 0.0005457 0.0341748 0.0047586 0.0395865 0.0333504 0.0048042
2 0.0061939 -0.0528652 0.9601296 0.0448469 0.0337972 0.0127170 0.0229188 0.0429785 -0.0526195 -0.0463338
3 0.0231169 -0.0354163 -0.0515344 0.9627317 0.0466821 0.0432223 0.0342067 0.0492855 -0.0448453 0.0599433
4 0.2339760 -0.0927754 -0.0108906 0.0085834 0.0007169 -0.0073134 -0.0165347 -0.0773705 -0.0306716 -0.0301880
5 0.0075020 -0.0306426 0.2443051 0.0065727 0.0023743 -0.0184497 -0.0240668 -0.0423598 0.0603525 0.0830767
6 0.0089310 -0.0044012 -0.0084278 0.2411374 -0.0078681 -0.0032707 -0.0212744 -0.0413592 0.0430222 -0.0858076
7 -0.1834395 0.4796878 0.0442306 -0.0032999 -0.0153447 0.1522141 -0.0199921 0.2660178 0.1859177 0.0438740
8 -0.0181163 0.0703919 -0.0677875 -0.0196616 0.1522009 0.0449876 0.1563760 0.1322592 -0.2469861 -0.1588979
9 0.0007589 0.0121055 0.0076841 0.0886129 -0.0968477 -0.1356043 -0.1520307 -0.1156472 0.2295018 -0.2520989
10 -0.1675919 0.6298512 0.0628618 0.0114970 0.0867512 0.2391156 -0.0760078 -0.0673186 0.0789215 -0.0484813
11 0.0048766 -0.0246119 0.0301793 0.0165499 -0.2807416 0.0418719 -0.0128689 -0.2366098 0.3107736 0.2682254
12 -0.0059562 0.0364283 0.0063363 0.0417219 -0.0817273 -0.2326326 -0.1361462 -0.1223515 0.2279766 -0.3116621
13 0.0918789 -0.4208905 -0.0470477 -0.0218037 0.0367082 0.1832254 -0.1174383 0.1038250 0.0943458 0.0050377
14 0.0014004 -0.0029004 -0.0168374 -0.0134865 0.4744614 -0.0645203 -0.0273461 0.1309938 -0.2539661 -0.1846787
15 -0.0068621 0.0390607 0.0030945 0.0228601 -0.0498263 -0.4172910 -0.1126694 -0.0486913 0.1319836 -0.3607600
16 0.0405476 -0.2212293 -0.0279967 -0.0197016 0.0738232 0.2904623 -0.0454266 0.2848247 0.2662337 -0.1086526
17 0.0014745 0.0100820 0.0025212 0.0065928 0.1504484 0.0630348 -0.3326109 -0.1897099 0.2009284 -0.0247690
18 -0.0004062 0.0034487 -0.0068656 -0.0040290 0.4048494 -0.2785334 -0.0104506 0.1004912 -0.0275158 -0.0576503
19 0.0171189 -0.1100933 -0.0160078 -0.0152885 0.2095639 0.3594935 -0.0733731 0.0918411 0.3137672 -0.2071805
20 -0.0004576 0.0154887 0.0030488 0.0064764 0.0709952 -0.2819099 0.1981343 -0.2247132 0.2764002 -0.0161317
21 -0.0009425 0.0071589 0.0043302 0.0028696 -0.3414167 0.1757386 0.2030121 -0.0951729 -0.0824823 -0.1078480
22 -0.0057315 0.0410075 0.0064377 0.0091362 -0.2121486 -0.2032883 -0.1719990 0.1408280 -0.2668128 0.1926685
23 0.0000854 -0.0065738 -0.0014204 -0.0038825 0.0092357 0.2615288 -0.1711063 -0.0229109 -0.2211625 -0.0644840
24 0.0001378 -0.0015632 -0.0016795 -0.0013786 0.2396348 -0.1508297 -0.2078848 0.0690455 0.1095211 0.2705602
25 0.0020018 -0.0158593 -0.0026228 -0.0066695 0.1747018 0.0782009 0.3215053 -0.1183304 0.2279014 -0.0429969
26 0.0001227 0.0020015 0.0007217 0.0025391 -0.1556451 -0.2321911 0.2981549 0.3799406 0.1707697 0.0029492
27 0.0001097 -0.0008728 0.0003880 -0.0000942 -0.1300218 0.0900597 0.2598612 -0.0505908 -0.0970609 -0.3125049
28 0.0007171 -0.0064304 -0.0011382 -0.0059360 0.1596059 0.0140035 0.3966441 -0.1340019 0.1505312 0.0725937
29 0.0000251 0.0009523 0.0003321 0.0028055 -0.1494374 -0.1341546 0.0032437 0.4690140 0.1332622 0.0500169
30 -0.0000025 0.0000186 -0.0001728 -0.0009376 0.1007209 -0.0298118 -0.1400062 -0.0248045 0.0847435 0.2986756
31 0.0002276 -0.0022609 -0.0004378 -0.0047030 0.1123679 -0.0305664 0.2843195 -0.0018724 0.0695294 0.2202899
32 0.0000008 0.0005146 0.0001804 0.0037126 -0.1396165 -0.0326321 -0.1778995 0.3591168 0.1107015 -0.0304691
33 -0.0000146 0.0001783 0.0001064 0.0012851 -0.1016366 0.0124225 0.0795299 0.0542661 -0.0668215 -0.2614874
34 0.0000670 -0.0007110 -0.0001451 -0.0023355 0.0459831 -0.0227759 0.1259079 0.0680171 0.0232395 0.1833364
35 -0.0000010 0.0001810 0.0000664 0.0022260 -0.0687073 0.0042510 -0.1448886 0.1352311 0.0798433 -0.0740001
36 -0.0000002 0.0000090 0.0000243 0.0002927 -0.0543273 0.0015995 0.0646381 0.0512001 -0.0385388 -0.1190398
11 12 13 14 15 16 17 18 19 20
1 0.0083510 0.0321642 0.0297801 -0.0512803 0.0177490 0.0610037 -0.0070968 -0.0199551 -0.0049881 0.0821506
2 -0.0615084 0.0084143 0.0471154 0.0341202 0.1034246 -0.0024131 0.1438146 -0.0217528 -0.0884812 -0.0382143
3 -0.0157293 0.0718877 -0.0620157 0.0140073 0.0310418 0.0857977 0.0660241 0.0696042 0.0983414 0.0158995
4 -0.0102864 -0.0735715 -0.0466994 0.1590296 -0.0519441 -0.1893043 0.0140263 0.0718358 0.0335557 -0.3858213
5 0.1058328 -0.0100099 -0.1214700 -0.0795885 -0.2524895 -0.0205869 -0.4903769 -0.0002232 0.3418259 0.1486471
6 0.0010272 -0.1225746 0.1261907 -0.0423087 -0.0873582 -0.2328282 -0.2338664 -0.2924372 -0.2619318 -0.0228152
7 0.0118167 0.1514669 0.1948574 -0.2817133 0.0954732 0.2553734 -0.0907490 -0.0896127 0.0332860 -0.0697668
8 -0.2644797 0.0283692 0.1614387 0.1594892 0.3781312 -0.1701306 0.1310568 -0.4132636 0.0925774 0.0484642
9 0.0711390 -0.2929346 0.2919418 -0.1128304 -0.0458316 -0.2171284 -0.1061216 0.1836751 -0.4033540 -0.0545076
10 -0.0090521 0.0554744 -0.0555360 0.0640160 -0.0902417 -0.1579896 0.0339400 0.1059117 -0.0853160 0.0755386
11 0.2369943 0.0676116 -0.0598655 -0.0498634 -0.1953908 0.0345571 0.1215089 -0.4346103 0.1907211 0.0805513
12 -0.0413175 -0.1772383 0.2690630 -0.0136838 0.0111706 -0.0643536 0.0222175 -0.3999987 0.2162079 0.0689225
13 -0.0897882 0.1772968 0.1353811 -0.2805677 0.1046919 0.1639166 0.0088238 -0.0505816 -0.1459451 0.3043012
14 -0.1481506 -0.1034997 -0.0418616 -0.1493925 -0.2608187 -0.0498362 -0.2598716 -0.1662664 0.1289065 0.1540251
15 0.0823430 0.0959749 0.1690548 0.1093983 0.2326978 0.3407355 0.0406095 0.2896636 0.2842852 0.1155046
16 -0.0177199 0.2117484 0.1998758 -0.1640016 0.0302771 -0.0341661 -0.0945992 0.0024410 0.0693929 -0.2242648
17 -0.3970137 -0.1617337 -0.3005636 -0.3365055 0.0108111 -0.1686628 0.2804607 0.1023259 0.0652278 0.0812750
18 0.1762251 0.0493529 -0.0103072 -0.1310389 -0.3050469 0.1488797 0.0614623 0.0341239 0.0165377 -0.1473948
19 0.0464511 0.0662615 0.0634739 0.2366847 -0.1075719 -0.1221363 0.0577026 0.1411652 0.1135715 -0.0683984
20 -0.3365114 0.3018381 -0.2152668 -0.1270745 0.1027681 -0.0374293 -0.0185636 -0.1112023 0.0866575 -0.3089652
21 -0.3209885 -0.0955275 0.0905514 0.0036132 0.0588498 -0.0682411 -0.2705488 0.1587940 0.2468401 0.0280599
22 -0.0662724 0.0411982 0.1540506 -0.3122458 -0.0024509 0.0115196 -0.0457776 0.0051808 -0.1222692 -0.1139838
23 0.2784062 -0.3235579 0.0780167 0.0007823 0.0465434 0.1298896 0.0964806 -0.1076040 0.2902799 -0.3060773
24 0.2996220 0.0686918 -0.0269807 0.1150140 0.3320495 -0.1967108 0.0641602 -0.1738405 -0.0407954 -0.0354258
25 0.0376821 -0.2301752 -0.1475491 0.1492192 0.1065679 0.1896616 -0.0266644 -0.0135106 -0.1080229 0.2099246
26 -0.0175364 0.1151374 0.0326453 0.1002151 -0.2237689 -0.2777421 0.0267485 0.0506337 0.0078742 -0.1572422
27 -0.0254306 0.0165728 -0.0328149 -0.1458977 -0.3006525 0.1920822 0.2899300 -0.1883530 -0.0566076 -0.1233001
28 0.0891209 -0.2294817 0.0286305 -0.0873487 0.1774004 0.1440161 -0.1556886 -0.0103887 -0.1059977 -0.0798105
29 -0.0579903 -0.2513737 -0.1173853 0.1323944 -0.0959550 -0.0569906 0.1499476 -0.0328128 0.0096251 0.3911402
30 -0.2163688 -0.0494739 0.2155802 0.2370209 0.0035076 0.0079065 -0.2500310 0.0155229 0.1418896 -0.1262121
31 0.0380785 -0.3036785 0.1696493 -0.2501878 0.0838337 -0.0247940 0.0635238 0.0725733 0.0448560 -0.0293465
32 -0.1203074 -0.3135022 -0.3078026 0.0516994 0.0603699 0.1101100 0.0290881 -0.0727367 0.1158221 -0.2233004
33 0.3096267 0.1131025 -0.3206056 -0.2103868 0.1731709 -0.1915292 -0.0703654 -0.0441173 -0.0054184 -0.0478293
34 0.0041915 -0.2692372 0.1465833 -0.2858635 0.0425122 -0.0842858 0.2213680 0.1591451 0.2364345 -0.0756209
35 -0.0895544 -0.1486677 -0.3108297 0.0150495 0.1672890 0.3297669 -0.3087263 -0.1113204 -0.2656616 -0.2074967
36 0.2351065 0.0368204 -0.1851835 -0.2422239 0.2916956 -0.3370508 -0.1567022 0.1264587 0.1857447 0.1213026
21 22 23 24 25 26 27 28 29 30
1 0.0550541 -0.0003420 0.0192406 -0.0086442 0.0400055 0.0461846 -0.0463032 0.0103407 -0.0143731 -0.0394952
2 -0.0050410 0.0825247 0.0809066 -0.0032805 0.0164303 0.0200831 -0.0014799 -0.0313862 -0.0217896 0.0643021
3 -0.0012003 -0.0352788 0.0525780 0.1056658 -0.0051278 0.0402660 0.0950615 -0.0497356 -0.0120693 -0.0526703
4 -0.1968205 -0.0061948 -0.0556513 0.0306776 -0.2224551 -0.2275306 0.2397572 -0.0350359 0.0760119 0.1971703
5 -0.0126830 -0.3949060 -0.3386542 0.0160254 -0.0911880 -0.0546366 -0.0123864 0.0920452 0.1068731 -0.2598195
6 0.0079069 0.1999940 -0.2588642 -0.4809473 0.0367102 -0.2017456 -0.3951359 0.1663358 0.0202002 0.1901242
7 0.2387380 -0.0239120 0.1243549 -0.1051947 -0.1873753 -0.0625430 0.0983693 0.0928924 0.0208319 0.0509012
8 -0.1700296 -0.3910031 -0.1402203 0.0142553 -0.1447108 0.1209143 -0.0962918 -0.1036659 0.1170560 -0.0337911
9 0.0692568 -0.3677085 0.2070947 0.2621039 -0.0841015 0.2169518 0.0033775 0.1600183 0.1238858 0.0120914
10 -0.2133722 0.0137208 -0.1419510 0.1852031 0.2119900 -0.0477796 -0.0922083 -0.1216856 0.0524731 0.0232449
11 -0.2510360 -0.1170206 0.1621814 0.0411817 -0.0666868 0.1841353 -0.0522622 -0.1200985 -0.0004981 0.3480208
12 0.0500094 0.3140927 -0.0335335 0.0701999 0.1767901 -0.0407468 0.3448941 -0.2136029 -0.0568850 -0.3417397
13 0.1373199 -0.0631610 -0.0469282 0.1916654 0.2417640 -0.0578812 -0.2225909 -0.1402344 0.1243605 -0.0276472
14 -0.0899731 -0.0208863 0.3152790 0.1154341 0.1168459 0.0825817 0.1131601 0.1073485 -0.1472495 0.3564435
15 -0.1752089 -0.0916449 -0.1086250 -0.1154984 -0.0543574 -0.0830690 -0.2170246 0.0260375 -0.1075278 0.3135962
16 -0.1897724 0.0302397 -0.0081932 -0.1289129 -0.2015719 -0.0250099 0.2615303 0.1467836 -0.1144263 0.0536246
17 0.1286978 -0.1035191 -0.0510601 -0.1660030 -0.2941680 -0.0730851 -0.0577688 -0.2225537 -0.1989912 0.0199260
18 0.1037537 0.1606025 -0.1650512 0.0145755 -0.2103267 0.0975131 -0.0997152 -0.2407233 0.2303285 -0.1173207
19 -0.1190871 0.0451821 -0.1679940 0.1349295 0.1721464 0.0490277 -0.1345121 -0.1760125 0.1246179 0.0884618
20 0.0743474 -0.0549059 0.1382545 0.1504698 0.2388371 -0.2226246 -0.1128325 0.2350977 0.3078642 0.0303889
21 0.2195942 0.1447084 -0.1535917 0.1676925 -0.2013401 0.0659447 -0.0036887 -0.0298836 0.0617299 0.0972095
22 -0.0665683 -0.0151184 -0.2710819 0.0995037 0.0895463 0.0541521 0.0935666 -0.3187296 0.1321203 0.3053297
23 0.2711768 -0.1625444 0.2243623 0.0117991 0.1022842 -0.3284566 -0.2186515 -0.0822339 0.1781237 0.0426335
24 0.1787036 0.0149663 -0.2196039 0.2317981 -0.2355318 0.0891339 -0.0316357 0.2095330 -0.0342463 -0.0122622
25 0.2892847 0.0676833 -0.1491114 -0.0936069 0.0487372 0.1614540 0.2090392 -0.0066720 0.1899681 0.3068141
26 0.1728290 -0.1747157 0.1112562 -0.1027648 0.0988604 0.0223832 -0.1221625 -0.3419027 -0.1202187 -0.0210967
27 -0.0147505 0.1181016 -0.1408910 0.2696354 -0.2999952 0.1688215 -0.2755623 0.2221340 -0.0768881 -0.0621704
28 -0.0788759 -0.1748605 0.0935465 -0.0638392 -0.0879195 -0.0552997 -0.1048093 -0.3149609 -0.3257476 -0.1364878
29 -0.0332013 0.0577442 0.1034638 0.1936262 -0.1954700 -0.4420954 -0.0812761 0.1334169 0.0695948 0.0182114
30 0.1320662 0.2666439 0.1103476 0.2856378 -0.0555495 0.1267178 -0.3386651 -0.0214946 -0.3059340 0.0742766
31 -0.1567674 0.1136541 -0.1650578 0.2277892 -0.0134180 -0.2059680 0.1099636 -0.0654231 0.1646200 0.1800199
32 0.1081785 -0.0610377 -0.1333394 -0.1146280 0.2096890 0.4197287 0.0203669 0.0742078 0.0664745 0.0922858
33 0.1703471 -0.0096707 -0.1964968 0.2771370 0.1768618 -0.1395384 0.0444900 -0.0024597 -0.4592222 0.1432421
34 -0.2638190 0.0262190 -0.1131156 -0.0917386 0.3072106 0.1557665 -0.1401816 0.3431818 -0.1507871 -0.1875379
35 -0.4134155 0.0966646 0.0325415 0.1485173 -0.0333109 -0.0632166 -0.0853918 -0.1154933 0.0225020 -0.1698690
36 -0.1142662 0.3328771 0.3317459 -0.0856436 -0.1595906 0.2309912 -0.1951936 -0.1195185 0.3170376 -0.0412142
31 32 33 34 35 36
1 -0.0262089 -0.0414959 -0.0562465 0.0471855 -0.0425329 0.0803436
2 -0.0511014 0.0341599 -0.0202288 0.0121053 0.0017811 0.0027630
3 0.0100871 -0.0117816 0.0160895 0.0036139 -0.0089706 0.0056169
4 0.1124930 0.1840492 0.2787935 -0.2336585 0.2779069 -0.4369469
5 0.1493936 -0.1575964 0.0740743 -0.0919580 -0.0060908 -0.0156806
6 -0.0151384 0.0326436 -0.0707401 0.0109274 0.0334475 -0.0156404
7 -0.0681981 -0.1185021 0.0586087 -0.0115867 0.3836487 -0.2149653
8 -0.1895276 -0.1034812 -0.0115079 -0.1816848 -0.0190323 -0.0146039
9 -0.1250346 -0.0233661 -0.0184999 -0.0722051 -0.0106350 0.0334150
10 0.1744135 0.3112013 0.0644030 -0.1158681 -0.3025186 -0.0838717
11 -0.2238831 0.0984675 -0.0439471 0.0137873 -0.0150279 -0.0392819
12 0.1024045 0.0036391 0.0767950 0.0071656 0.0140771 -0.0185030
13 0.1245092 0.2442890 0.0692774 -0.1153986 0.0206346 -0.3757762
14 0.0861717 0.0805247 0.0233746 0.2376047 0.0403104 -0.0623241
15 0.0892673 0.0198349 -0.0211696 0.0395081 -0.0721553 -0.0753371
16 0.0362707 0.1051683 0.0191574 -0.1096316 -0.4640114 0.2529110
17 -0.0089172 -0.1464449 0.0253866 0.0730690 -0.0551546 -0.0190101
18 -0.4277168 0.2478600 -0.0844887 -0.1613838 -0.0595413 0.0139758
19 -0.0648480 -0.2127354 -0.0148247 0.2280083 0.4391614 0.2369794
20 0.0119440 0.0556051 0.0239192 -0.0095858 0.0100554 0.1984763
21 -0.2637456 0.3657551 -0.0627235 0.3329368 -0.0291558 -0.0265571
22 0.1225303 -0.0819105 0.3354426 0.0408348 0.0581416 0.3797920
23 0.0148715 -0.0136448 0.1024527 0.0775023 -0.2307241 0.0704546
24 0.1809686 0.1678219 0.0775705 0.4320883 -0.0445856 -0.0485942
25 -0.0547693 -0.1806164 0.4250047 -0.0904193 -0.2161660 -0.0230654
26 0.0762459 -0.1343732 0.0863422 0.2456793 -0.2255353 -0.2764409
27 0.3549282 -0.1238803 0.1206650 0.0226838 -0.0043102 0.0011620
28 0.2221514 0.3631273 0.0431445 -0.0135382 0.2222093 0.2794278
29 -0.0707663 0.1291500 0.1238180 -0.1243336 0.0743906 0.2428889
30 -0.0070258 -0.2013625 0.0757213 -0.3838153 -0.0747298 0.0022839
31 0.1248220 -0.2757882 -0.5320139 0.0101469 -0.1031535 -0.1594176
32 0.2224788 0.2203041 -0.2966629 -0.1931388 0.0881003 0.0066304
33 -0.2793276 -0.0827362 -0.0633454 -0.2185192 0.0423352 0.0061295
34 -0.2689097 0.0510449 0.3535134 0.0726353 0.0433977 -0.1135722
35 -0.2115855 -0.1809468 0.1001980 0.2679521 -0.1326788 -0.1734085
36 0.1663029 -0.0759249 0.0933702 -0.1270637 0.0275643 0.0046933
alpha_old
1 2 3 4 5 6 7 8 9 10
1 0.9337828 0.3322045 0.0205909 -0.0179191 0.0038483 -0.0346105 0.0104098 -0.0260009 0.0480627 -0.0053846
2 0.0061938 -0.0528605 0.9601329 0.0449513 0.0336815 -0.0113683 0.0332672 -0.0572239 -0.0433544 0.0598328
3 0.0231171 -0.0354219 -0.0515372 0.9628922 0.0434699 -0.0426941 0.0351114 -0.0614260 -0.0298373 -0.0755290
4 0.2339789 -0.0928068 -0.0108958 0.0085042 -0.0004510 0.0090330 -0.0214196 0.0616241 -0.0593261 0.0309186
5 0.0075024 -0.0306475 0.2443042 0.0065513 0.0026625 0.0192241 -0.0338167 0.0633857 0.0506824 -0.1180839
6 0.0089316 -0.0044123 -0.0084314 0.2410766 -0.0081144 0.0033190 -0.0237090 0.0563747 0.0265824 0.1189405
7 -0.1834434 0.4797137 0.0442291 -0.0034934 0.0048885 -0.1551903 0.0199923 -0.1883109 0.2843381 -0.0225897
8 -0.0181187 0.0704434 -0.0677708 -0.0189963 0.1453444 -0.0398760 0.1884460 -0.2037581 -0.2297934 0.2028814
9 0.0007594 0.0120778 0.0076730 0.0881372 -0.0950536 0.1341870 -0.1530188 0.1910921 0.1978207 0.3359878
10 -0.1675883 0.6297992 0.0628471 0.0113316 0.1084780 -0.2293527 -0.0654885 0.0867121 0.0634069 0.0410149
11 0.0048785 -0.0246455 0.0301680 0.0159886 -0.2908335 -0.0603192 -0.0773379 0.3077124 0.2523850 -0.3104132
12 -0.0059526 0.0363693 0.0063203 0.0412190 -0.0868134 0.2334401 -0.1078073 0.1883134 0.1883691 0.3907270
13 0.0918818 -0.4209286 -0.0470538 -0.0220741 0.0584338 -0.1777768 -0.0910901 -0.0795815 0.1493782 0.0385623
14 0.0013960 -0.0028196 -0.0168100 -0.0123208 0.4786383 0.0953093 0.0276610 -0.1807316 -0.2311692 0.2046912
15 -0.0068545 0.0389579 0.0030685 0.0222937 -0.0548866 0.4230994 -0.0597322 0.0837009 0.1361487 0.3190380
16 0.0405463 -0.2212264 -0.0279982 -0.0198823 0.1114647 -0.2854024 0.0227438 -0.1743696 0.3707216 0.1255376
17 0.0014749 0.0100432 0.0025113 0.0062037 0.1711102 -0.0444839 -0.2951800 0.2601216 0.1058903 0.1867565
18 -0.0004117 0.0035507 -0.0068329 -0.0027497 0.3898327 0.3035954 0.0300593 -0.0890985 0.0170948 -0.0180008
19 0.0171233 -0.1101436 -0.0160162 -0.0153348 0.2492979 -0.3420930 0.0042053 0.0275851 0.3426439 0.1846763
20 -0.0004567 0.0155004 0.0030584 0.0069866 0.0311969 0.2822524 0.2640986 0.3105253 0.1284389 -0.0034755
21 -0.0009406 0.0071269 0.0043182 0.0022843 -0.3501942 -0.2028038 0.1740517 0.0546635 -0.1580642 0.2087253
22 -0.0057349 0.0410196 0.0064337 0.0086073 -0.2200365 0.1915591 -0.2251218 -0.2535160 -0.1654750 -0.0967776
23 0.0000856 -0.0065909 -0.0014281 -0.0041640 0.0408898 -0.2556970 -0.2411039 -0.0451806 -0.1861710 0.0697481
24 0.0001362 -0.0015296 -0.0016689 -0.0009078 0.2458051 0.1704142 -0.2154085 -0.0309218 0.1892929 -0.3382482
25 0.0019945 -0.0157449 -0.0025908 -0.0056306 0.1560152 -0.0783408 0.3563626 0.2415814 0.0892793 -0.0221921
26 0.0001151 0.0021083 0.0007438 0.0029069 -0.1820718 0.2099136 0.3540745 -0.2990613 0.2761254 -0.0234532
27 0.0001124 -0.0008947 0.0003830 -0.0001478 -0.1368067 -0.1024766 0.2646943 0.0232087 -0.1491283 0.2654453
28 0.0007004 -0.0062022 -0.0010817 -0.0043906 0.1242109 -0.0209567 0.3817567 0.2365703 0.0071397 -0.1186700
29 0.0000151 0.0010235 0.0003366 0.0023067 -0.1378687 0.1190286 0.0774549 -0.3652563 0.2532483 0.0098884
30 -0.0000060 0.0000621 -0.0001564 -0.0006333 0.0833481 0.0349317 -0.1336111 0.0273635 0.0773616 -0.1706748
31 0.0002013 -0.0019258 -0.0003594 -0.0029390 0.0694069 0.0179781 0.2259391 0.0684540 0.0055185 -0.1505274
32 -0.0000047 0.0004977 0.0001604 0.0025159 -0.1010753 0.0262488 -0.0937515 -0.2560602 0.1853739 0.1000466
33 -0.0000073 0.0000825 0.0000751 0.0006667 -0.0687835 -0.0136064 0.0765614 -0.0441704 -0.0336092 0.0802129
11 12 13 14 15 16 17 18 19 20
1 0.0028680 0.0429768 -0.0243102 -0.0514719 -0.0551995 -0.0351893 0.0218597 0.0006446 -0.0688543 -0.0477397
2 0.0399933 0.0089231 -0.0716119 0.0757758 -0.0812229 0.0517859 -0.0135172 -0.1663748 0.0559295 -0.0430505
3 0.0441477 0.0494529 0.0445929 0.0555624 -0.0663417 -0.1188889 0.0106326 -0.0130362 0.0248698 0.1004981
4 -0.0213002 -0.1079553 0.0405668 0.1533899 0.1819159 0.1157673 -0.0767519 0.0140521 0.3429540 0.2104128
5 -0.0678617 -0.0224347 0.1715580 -0.1898539 0.2311962 -0.1096656 0.1076006 0.6221981 -0.2302725 0.2310136
6 -0.0503964 -0.1013114 -0.1032809 -0.1588968 0.1930166 0.3606995 0.0592818 0.0829022 -0.1182103 -0.4289957
7 0.0466619 0.1934659 -0.1728082 -0.3018770 -0.2464798 -0.1132382 0.0816012 0.0950750 0.1347309 -0.0654399
8 0.1855785 -0.0130539 -0.2905389 0.2743627 -0.1685276 0.3669326 0.3229282 0.0373416 -0.1207894 0.3307347
9 -0.1843898 -0.1691442 -0.1964524 -0.2121012 0.0984172 0.2231721 -0.4262957 -0.0448518 0.0058075 0.1865438
10 0.0293165 0.0321680 0.0990473 0.1050939 0.1768751 0.0872170 -0.1298770 -0.0700119 -0.1447075 0.0704928
11 -0.1221808 0.0656122 0.1168018 -0.1103728 0.0961537 0.0842511 0.4974571 -0.1348186 -0.0826995 0.2608898
12 -0.0748169 -0.0846695 -0.1918950 -0.0658675 0.0165826 0.1224473 0.4390838 0.0119269 -0.0028850 -0.1867740
13 0.1530851 0.2164930 -0.1061915 -0.2315943 -0.2357387 -0.0137306 -0.0320210 -0.0442967 -0.2898188 -0.0755128
14 0.0694463 -0.0856253 0.1087768 -0.2745837 0.2204410 -0.0203185 0.2127649 0.1435876 -0.1536047 0.0921635
15 -0.1540044 0.2483376 -0.1577624 0.2524494 -0.1845127 -0.4298396 -0.0271484 0.0976216 -0.1139247 0.2075535
16 0.0712006 0.2389573 -0.1256619 -0.1006995 0.0503196 0.0575229 0.0058333 0.0955361 0.1702044 0.1102438
17 0.4465478 -0.2290332 0.3485566 -0.1533470 -0.2620019 0.0593213 -0.0978247 -0.1032499 0.0405504 0.1820175
18 -0.1805543 0.1194079 0.1498731 -0.2340309 0.1117218 -0.1473227 0.0203043 -0.1175695 0.2093967 -0.1185670
19 -0.0735070 0.0347730 0.0237577 0.2482115 0.2457844 -0.0451967 -0.0389305 -0.0125533 0.0552692 0.0425760
20 0.4312151 0.2054030 0.1432581 0.0411263 -0.0829439 0.1147566 0.0918459 0.1416058 0.2913161 -0.0075174
21 0.2340402 -0.1312307 -0.1323678 -0.0218279 0.0529298 -0.1469813 -0.0446204 0.3356369 0.0604559 -0.0992874
22 0.1214102 0.0998777 -0.1110177 -0.3089062 -0.0550106 0.1094281 -0.1120120 0.0082286 0.0608549 0.0366043
23 -0.3755017 -0.1695105 -0.0426996 -0.0407728 -0.1942648 -0.0888931 0.2060805 0.1224253 0.4314287 0.1354632
24 -0.1331391 -0.0214297 -0.1162207 0.2201736 -0.2122132 0.3240842 0.0274856 0.0929303 0.0445145 -0.0941663
25 -0.1301256 -0.2575630 0.0178276 0.0537603 -0.2265651 -0.1375784 -0.0209892 0.0250729 -0.1815029 -0.3089176
26 0.0225758 -0.0466537 0.0831697 0.0119091 0.2403094 0.1419361 -0.0888887 0.0227853 0.2122173 0.0810416
27 -0.1151844 0.1607443 0.2258187 -0.1909695 0.0200354 -0.0258407 0.1917690 -0.3256084 0.1498989 -0.0612975
28 -0.1429045 -0.1531232 -0.1922057 -0.1683135 -0.1788076 0.0049041 -0.0757330 0.0757091 0.0329651 0.1825635
29 -0.0060406 -0.3904419 0.1337995 0.0228486 -0.0299676 -0.0438367 0.0647488 -0.1861717 -0.2966795 0.1472220
30 0.2488311 -0.2016499 -0.3385582 0.0554743 0.2346288 -0.1984610 0.1059711 0.1019648 0.1973850 -0.2001810
31 -0.0556346 -0.2333999 -0.2187140 -0.3086018 -0.1342658 0.0477973 -0.0850149 -0.0756568 0.0849853 0.2399003
32 0.0448921 -0.3802385 0.2676225 0.0738759 -0.2551468 -0.0987528 0.1183386 0.1553357 0.1793532 -0.1527511
33 -0.2645856 0.2122404 0.3409419 0.0457474 -0.2534123 0.3615490 -0.1272026 0.3635921 -0.0026612 -0.0953298
21 22 23 24 25 26 27 28 29 30
1 0.0454202 0.0388992 0.0266359 0.0059713 0.0397539 -0.0338848 -0.0040378 0.0063010 0.0503946 -0.0807342
2 0.0271855 0.0272023 -0.0328409 -0.0310899 -0.0203391 -0.0235386 -0.0572290 -0.0723465 -0.0361669 -0.0233381
3 -0.0262424 0.0972084 0.0303682 -0.0515806 -0.0511316 -0.0811005 0.0453136 0.0394906 0.0053901 0.0193355
4 -0.1796670 -0.1757237 -0.1301035 0.0083100 -0.2079854 0.1501024 0.0409538 -0.0497606 -0.2336453 0.4022163
5 -0.1006071 -0.1338771 0.1847262 0.1267243 0.1113520 0.0734648 0.2410712 0.2559778 0.1349384 0.0714362
6 0.0405881 -0.4358265 -0.1824569 0.1993336 0.2497172 0.2953772 -0.1992044 -0.1269762 0.0044279 -0.0796076
7 0.1373193 -0.0406907 -0.0457984 0.2027478 -0.1121955 -0.0496026 0.0985525 -0.1055879 0.0838907 0.0828802
8 0.0200395 -0.1468248 0.2929853 0.0470127 0.1397933 -0.0489675 0.0874262 -0.1081065 -0.0162414 -0.0724242
9 0.3069003 0.2389766 0.3377337 0.0893536 -0.1248291 0.0811494 0.1137618 -0.1043628 -0.0225073 -0.0640752
10 -0.1707682 0.0876940 0.0069453 -0.2377698 0.1415020 0.1879748 -0.0951493 0.1288682 -0.2791550 0.1075195
11 0.0829456 -0.0044149 0.1221105 -0.0876628 -0.0546526 -0.0338068 -0.2049187 -0.3868574 -0.1177056 -0.0515552
12 -0.2078747 0.1397717 -0.1894832 -0.2530344 -0.0672039 -0.3006315 0.2148727 0.3026356 -0.0273585 0.0847982
13 0.0116567 0.2376707 0.0670295 -0.1234278 0.3359016 0.1467019 -0.0132992 0.0963846 -0.2444876 0.1138290
14 0.1966299 0.2368028 -0.1024363 -0.1192994 -0.2707819 0.0667723 -0.2428637 -0.1916494 0.0605982 0.1080044
15 -0.1094578 -0.1886094 -0.0580320 0.0522311 0.0879380 0.1688173 -0.3139257 -0.1397387 0.0685205 0.0399632
16 -0.0579130 -0.2321674 -0.1103227 0.0505342 -0.3819290 0.0111564 -0.0351851 0.0328725 -0.0722417 0.0283414
17 -0.1171311 -0.1931736 -0.0255846 0.1920098 0.1326973 -0.3137773 -0.1368648 -0.0318579 0.1544004 0.0630185
18 -0.2104224 -0.1025115 0.2088034 0.0801567 0.1777692 -0.1858688 0.1687809 -0.2109592 -0.4281339 -0.2153054
19 -0.2016399 0.0551640 0.0928366 -0.2026742 0.2436181 0.0280795 0.0002399 -0.1495308 0.1833997 -0.0353836
20 0.1435843 0.2268545 -0.1323466 -0.0029638 0.1170260 0.4203110 0.1931445 -0.0408765 -0.0622784 -0.0138277
21 -0.2766958 0.1198115 0.1188624 0.1597057 -0.0441283 -0.1534011 0.0238498 -0.2825742 -0.3162278 -0.1051879
22 -0.2295675 -0.1089037 0.1349136 -0.3574101 0.1004360 0.0638834 -0.0293648 -0.1775209 0.0504087 0.4244954
23 0.1617713 0.1502936 -0.2044504 0.0896535 0.3919353 0.1168842 0.0907520 -0.0778227 0.0166641 0.1088845
24 -0.2073587 0.1117731 0.2593041 0.2577449 -0.1294464 0.0459573 0.0036420 0.0761998 0.0039126 0.1274665
25 0.0280724 -0.0544412 0.1413790 -0.1151315 -0.0702381 -0.0180247 0.1950229 -0.3464464 0.1546758 0.4405351
26 0.1659247 0.0168942 0.0030437 -0.0850104 0.3441496 -0.3130785 -0.0853863 0.0054996 0.1976544 0.1352393
27 -0.2023870 0.0562801 0.4026741 0.2807688 -0.0486993 0.2308760 -0.1652525 0.2746208 0.1951589 0.1690350
28 0.1165735 -0.1275904 -0.0354227 -0.0472558 0.0789727 -0.1382265 -0.3657271 0.3517965 -0.3648339 0.1306798
29 -0.1731284 0.2078563 -0.2737019 0.3482897 0.0323442 0.1760006 0.0523130 -0.0390337 -0.1987058 0.1113895
30 -0.0666991 0.2972164 0.1620928 0.1266489 0.0580113 0.0015882 -0.4332894 0.0366284 0.1036133 0.0465153
31 -0.4647727 0.0186792 -0.1455704 -0.1958809 -0.0180351 0.2180728 0.0237997 -0.0592197 0.3150352 -0.3884538
32 0.1434815 -0.1846857 0.3133852 -0.3692333 -0.1346535 0.2434408 -0.1196174 0.1263471 -0.1332642 -0.2311488
33 -0.1844792 0.2960088 -0.1175419 -0.0221148 -0.0536016 -0.1457722 -0.3205864 -0.1284229 0.0266695 -0.0815474
31 32 33
1 0.0321132 -0.0266469 0.0876929
2 0.0141575 0.0032762 0.0024081
3 -0.0038863 -0.0066896 0.0079703
4 -0.1693619 0.1947314 -0.4817253
5 -0.1157097 -0.0130046 -0.0141298
6 0.0397888 0.0271680 -0.0237437
7 -0.0753390 0.3589693 -0.2575130
8 -0.2393341 -0.0239315 -0.0119444
9 -0.0923991 -0.0097066 0.0332296
10 0.0372228 -0.3360131 -0.0634265
11 0.0199769 -0.0175640 -0.0386738
12 -0.0078455 0.0161131 -0.0127295
13 0.0076263 -0.0453696 -0.3906265
14 0.2805143 0.0422830 -0.0643783
15 0.0945662 -0.0879730 -0.0760705
16 -0.0478892 -0.4510366 0.2908789
17 0.0256036 -0.0459668 -0.0122297
18 -0.1625635 -0.0616419 0.0209600
19 0.0914914 0.4983426 0.2118373
20 0.0078467 0.0264185 0.1986937
21 0.3771074 -0.0080840 -0.0060706
22 -0.0165951 0.1055665 0.3811490
23 0.0790752 -0.2123423 0.1047657
24 0.4865048 -0.0212598 -0.0201037
25 -0.1348981 -0.2321277 0.0126171
26 0.2185736 -0.2218398 -0.2257842
27 0.0515313 -0.0061294 0.0062695
28 0.0597703 0.2421189 0.2365916
29 -0.1271428 0.0830140 0.2235870
30 -0.4191131 -0.1029284 -0.0015647
31 0.0293462 -0.0956111 -0.1892334
32 0.0028019 0.0373691 -0.0663950
33 -0.3254919 0.0300497 -0.0069473
alpha_tot
1 2 3 4 5 6 7 8 9 10
1 0.9337839 0.3321984 0.0205918 0.9337828 0.3322045 0.0205909 -0.0179119 0.0005457 0.0341748 0.0047586
2 0.0061939 -0.0528652 0.9601296 0.0061938 -0.0528605 0.9601329 0.0448469 0.0337972 0.0127170 0.0229188
3 0.0231169 -0.0354163 -0.0515344 0.0231171 -0.0354219 -0.0515372 0.9627317 0.0466821 0.0432223 0.0342067
4 0.2339760 -0.0927754 -0.0108906 0.2339789 -0.0928068 -0.0108958 0.0085834 0.0007169 -0.0073134 -0.0165347
5 0.0075020 -0.0306426 0.2443051 0.0075024 -0.0306475 0.2443042 0.0065727 0.0023743 -0.0184497 -0.0240668
6 0.0089310 -0.0044012 -0.0084278 0.0089316 -0.0044123 -0.0084314 0.2411374 -0.0078681 -0.0032707 -0.0212744
7 -0.1834395 0.4796878 0.0442306 -0.1834434 0.4797137 0.0442291 -0.0032999 -0.0153447 0.1522141 -0.0199921
8 -0.0181163 0.0703919 -0.0677875 -0.0181187 0.0704434 -0.0677708 -0.0196616 0.1522009 0.0449876 0.1563760
9 0.0007589 0.0121055 0.0076841 0.0007594 0.0120778 0.0076730 0.0886129 -0.0968477 -0.1356043 -0.1520307
10 -0.1675919 0.6298512 0.0628618 -0.1675883 0.6297992 0.0628471 0.0114970 0.0867512 0.2391156 -0.0760078
11 0.0048766 -0.0246119 0.0301793 0.0048785 -0.0246455 0.0301680 0.0165499 -0.2807416 0.0418719 -0.0128689
12 -0.0059562 0.0364283 0.0063363 -0.0059526 0.0363693 0.0063203 0.0417219 -0.0817273 -0.2326326 -0.1361462
13 0.0918789 -0.4208905 -0.0470477 0.0918818 -0.4209286 -0.0470538 -0.0218037 0.0367082 0.1832254 -0.1174383
14 0.0014004 -0.0029004 -0.0168374 0.0013960 -0.0028196 -0.0168100 -0.0134865 0.4744614 -0.0645203 -0.0273461
15 -0.0068621 0.0390607 0.0030945 -0.0068545 0.0389579 0.0030685 0.0228601 -0.0498263 -0.4172910 -0.1126694
16 0.0405476 -0.2212293 -0.0279967 0.0405463 -0.2212264 -0.0279982 -0.0197016 0.0738232 0.2904623 -0.0454266
17 0.0014745 0.0100820 0.0025212 0.0014749 0.0100432 0.0025113 0.0065928 0.1504484 0.0630348 -0.3326109
18 -0.0004062 0.0034487 -0.0068656 -0.0004117 0.0035507 -0.0068329 -0.0040290 0.4048494 -0.2785334 -0.0104506
19 0.0171189 -0.1100933 -0.0160078 0.0171233 -0.1101436 -0.0160162 -0.0152885 0.2095639 0.3594935 -0.0733731
20 -0.0004576 0.0154887 0.0030488 -0.0004567 0.0155004 0.0030584 0.0064764 0.0709952 -0.2819099 0.1981343
21 -0.0009425 0.0071589 0.0043302 -0.0009406 0.0071269 0.0043182 0.0028696 -0.3414167 0.1757386 0.2030121
22 -0.0057315 0.0410075 0.0064377 -0.0057349 0.0410196 0.0064337 0.0091362 -0.2121486 -0.2032883 -0.1719990
23 0.0000854 -0.0065738 -0.0014204 0.0000856 -0.0065909 -0.0014281 -0.0038825 0.0092357 0.2615288 -0.1711063
24 0.0001378 -0.0015632 -0.0016795 0.0001362 -0.0015296 -0.0016689 -0.0013786 0.2396348 -0.1508297 -0.2078848
25 0.0020018 -0.0158593 -0.0026228 0.0019945 -0.0157449 -0.0025908 -0.0066695 0.1747018 0.0782009 0.3215053
26 0.0001227 0.0020015 0.0007217 0.0001151 0.0021083 0.0007438 0.0025391 -0.1556451 -0.2321911 0.2981549
27 0.0001097 -0.0008728 0.0003880 0.0001124 -0.0008947 0.0003830 -0.0000942 -0.1300218 0.0900597 0.2598612
28 0.0007171 -0.0064304 -0.0011382 0.0007004 -0.0062022 -0.0010817 -0.0059360 0.1596059 0.0140035 0.3966441
29 0.0000251 0.0009523 0.0003321 0.0000151 0.0010235 0.0003366 0.0028055 -0.1494374 -0.1341546 0.0032437
30 -0.0000025 0.0000186 -0.0001728 -0.0000060 0.0000621 -0.0001564 -0.0009376 0.1007209 -0.0298118 -0.1400062
31 0.0002276 -0.0022609 -0.0004378 0.0002013 -0.0019258 -0.0003594 -0.0047030 0.1123679 -0.0305664 0.2843195
32 0.0000008 0.0005146 0.0001804 -0.0000047 0.0004977 0.0001604 0.0037126 -0.1396165 -0.0326321 -0.1778995
33 -0.0000146 0.0001783 0.0001064 -0.0000073 0.0000825 0.0000751 0.0012851 -0.1016366 0.0124225 0.0795299
34 0.0000670 -0.0007110 -0.0001451 0.0000000 0.0000000 0.0000000 -0.0023355 0.0459831 -0.0227759 0.1259079
35 -0.0000010 0.0001810 0.0000664 0.0000000 0.0000000 0.0000000 0.0022260 -0.0687073 0.0042510 -0.1448886
36 -0.0000002 0.0000090 0.0000243 0.0000000 0.0000000 0.0000000 0.0002927 -0.0543273 0.0015995 0.0646381
11 12 13 14 15 16 17 18 19 20
1 0.0395865 0.0333504 0.0048042 0.0083510 0.0321642 0.0297801 -0.0512803 0.0177490 0.0610037 -0.0070968
2 0.0429785 -0.0526195 -0.0463338 -0.0615084 0.0084143 0.0471154 0.0341202 0.1034246 -0.0024131 0.1438146
3 0.0492855 -0.0448453 0.0599433 -0.0157293 0.0718877 -0.0620157 0.0140073 0.0310418 0.0857977 0.0660241
4 -0.0773705 -0.0306716 -0.0301880 -0.0102864 -0.0735715 -0.0466994 0.1590296 -0.0519441 -0.1893043 0.0140263
5 -0.0423598 0.0603525 0.0830767 0.1058328 -0.0100099 -0.1214700 -0.0795885 -0.2524895 -0.0205869 -0.4903769
6 -0.0413592 0.0430222 -0.0858076 0.0010272 -0.1225746 0.1261907 -0.0423087 -0.0873582 -0.2328282 -0.2338664
7 0.2660178 0.1859177 0.0438740 0.0118167 0.1514669 0.1948574 -0.2817133 0.0954732 0.2553734 -0.0907490
8 0.1322592 -0.2469861 -0.1588979 -0.2644797 0.0283692 0.1614387 0.1594892 0.3781312 -0.1701306 0.1310568
9 -0.1156472 0.2295018 -0.2520989 0.0711390 -0.2929346 0.2919418 -0.1128304 -0.0458316 -0.2171284 -0.1061216
10 -0.0673186 0.0789215 -0.0484813 -0.0090521 0.0554744 -0.0555360 0.0640160 -0.0902417 -0.1579896 0.0339400
11 -0.2366098 0.3107736 0.2682254 0.2369943 0.0676116 -0.0598655 -0.0498634 -0.1953908 0.0345571 0.1215089
12 -0.1223515 0.2279766 -0.3116621 -0.0413175 -0.1772383 0.2690630 -0.0136838 0.0111706 -0.0643536 0.0222175
13 0.1038250 0.0943458 0.0050377 -0.0897882 0.1772968 0.1353811 -0.2805677 0.1046919 0.1639166 0.0088238
14 0.1309938 -0.2539661 -0.1846787 -0.1481506 -0.1034997 -0.0418616 -0.1493925 -0.2608187 -0.0498362 -0.2598716
15 -0.0486913 0.1319836 -0.3607600 0.0823430 0.0959749 0.1690548 0.1093983 0.2326978 0.3407355 0.0406095
16 0.2848247 0.2662337 -0.1086526 -0.0177199 0.2117484 0.1998758 -0.1640016 0.0302771 -0.0341661 -0.0945992
17 -0.1897099 0.2009284 -0.0247690 -0.3970137 -0.1617337 -0.3005636 -0.3365055 0.0108111 -0.1686628 0.2804607
18 0.1004912 -0.0275158 -0.0576503 0.1762251 0.0493529 -0.0103072 -0.1310389 -0.3050469 0.1488797 0.0614623
19 0.0918411 0.3137672 -0.2071805 0.0464511 0.0662615 0.0634739 0.2366847 -0.1075719 -0.1221363 0.0577026
20 -0.2247132 0.2764002 -0.0161317 -0.3365114 0.3018381 -0.2152668 -0.1270745 0.1027681 -0.0374293 -0.0185636
21 -0.0951729 -0.0824823 -0.1078480 -0.3209885 -0.0955275 0.0905514 0.0036132 0.0588498 -0.0682411 -0.2705488
22 0.1408280 -0.2668128 0.1926685 -0.0662724 0.0411982 0.1540506 -0.3122458 -0.0024509 0.0115196 -0.0457776
23 -0.0229109 -0.2211625 -0.0644840 0.2784062 -0.3235579 0.0780167 0.0007823 0.0465434 0.1298896 0.0964806
24 0.0690455 0.1095211 0.2705602 0.2996220 0.0686918 -0.0269807 0.1150140 0.3320495 -0.1967108 0.0641602
25 -0.1183304 0.2279014 -0.0429969 0.0376821 -0.2301752 -0.1475491 0.1492192 0.1065679 0.1896616 -0.0266644
26 0.3799406 0.1707697 0.0029492 -0.0175364 0.1151374 0.0326453 0.1002151 -0.2237689 -0.2777421 0.0267485
27 -0.0505908 -0.0970609 -0.3125049 -0.0254306 0.0165728 -0.0328149 -0.1458977 -0.3006525 0.1920822 0.2899300
28 -0.1340019 0.1505312 0.0725937 0.0891209 -0.2294817 0.0286305 -0.0873487 0.1774004 0.1440161 -0.1556886
29 0.4690140 0.1332622 0.0500169 -0.0579903 -0.2513737 -0.1173853 0.1323944 -0.0959550 -0.0569906 0.1499476
30 -0.0248045 0.0847435 0.2986756 -0.2163688 -0.0494739 0.2155802 0.2370209 0.0035076 0.0079065 -0.2500310
31 -0.0018724 0.0695294 0.2202899 0.0380785 -0.3036785 0.1696493 -0.2501878 0.0838337 -0.0247940 0.0635238
32 0.3591168 0.1107015 -0.0304691 -0.1203074 -0.3135022 -0.3078026 0.0516994 0.0603699 0.1101100 0.0290881
33 0.0542661 -0.0668215 -0.2614874 0.3096267 0.1131025 -0.3206056 -0.2103868 0.1731709 -0.1915292 -0.0703654
34 0.0680171 0.0232395 0.1833364 0.0041915 -0.2692372 0.1465833 -0.2858635 0.0425122 -0.0842858 0.2213680
35 0.1352311 0.0798433 -0.0740001 -0.0895544 -0.1486677 -0.3108297 0.0150495 0.1672890 0.3297669 -0.3087263
36 0.0512001 -0.0385388 -0.1190398 0.2351065 0.0368204 -0.1851835 -0.2422239 0.2916956 -0.3370508 -0.1567022
21 22 23 24 25 26 27 28 29 30
1 -0.0199551 -0.0049881 0.0821506 0.0550541 -0.0003420 0.0192406 -0.0086442 0.0400055 0.0461846 -0.0463032
2 -0.0217528 -0.0884812 -0.0382143 -0.0050410 0.0825247 0.0809066 -0.0032805 0.0164303 0.0200831 -0.0014799
3 0.0696042 0.0983414 0.0158995 -0.0012003 -0.0352788 0.0525780 0.1056658 -0.0051278 0.0402660 0.0950615
4 0.0718358 0.0335557 -0.3858213 -0.1968205 -0.0061948 -0.0556513 0.0306776 -0.2224551 -0.2275306 0.2397572
5 -0.0002232 0.3418259 0.1486471 -0.0126830 -0.3949060 -0.3386542 0.0160254 -0.0911880 -0.0546366 -0.0123864
6 -0.2924372 -0.2619318 -0.0228152 0.0079069 0.1999940 -0.2588642 -0.4809473 0.0367102 -0.2017456 -0.3951359
7 -0.0896127 0.0332860 -0.0697668 0.2387380 -0.0239120 0.1243549 -0.1051947 -0.1873753 -0.0625430 0.0983693
8 -0.4132636 0.0925774 0.0484642 -0.1700296 -0.3910031 -0.1402203 0.0142553 -0.1447108 0.1209143 -0.0962918
9 0.1836751 -0.4033540 -0.0545076 0.0692568 -0.3677085 0.2070947 0.2621039 -0.0841015 0.2169518 0.0033775
10 0.1059117 -0.0853160 0.0755386 -0.2133722 0.0137208 -0.1419510 0.1852031 0.2119900 -0.0477796 -0.0922083
11 -0.4346103 0.1907211 0.0805513 -0.2510360 -0.1170206 0.1621814 0.0411817 -0.0666868 0.1841353 -0.0522622
12 -0.3999987 0.2162079 0.0689225 0.0500094 0.3140927 -0.0335335 0.0701999 0.1767901 -0.0407468 0.3448941
13 -0.0505816 -0.1459451 0.3043012 0.1373199 -0.0631610 -0.0469282 0.1916654 0.2417640 -0.0578812 -0.2225909
14 -0.1662664 0.1289065 0.1540251 -0.0899731 -0.0208863 0.3152790 0.1154341 0.1168459 0.0825817 0.1131601
15 0.2896636 0.2842852 0.1155046 -0.1752089 -0.0916449 -0.1086250 -0.1154984 -0.0543574 -0.0830690 -0.2170246
16 0.0024410 0.0693929 -0.2242648 -0.1897724 0.0302397 -0.0081932 -0.1289129 -0.2015719 -0.0250099 0.2615303
17 0.1023259 0.0652278 0.0812750 0.1286978 -0.1035191 -0.0510601 -0.1660030 -0.2941680 -0.0730851 -0.0577688
18 0.0341239 0.0165377 -0.1473948 0.1037537 0.1606025 -0.1650512 0.0145755 -0.2103267 0.0975131 -0.0997152
19 0.1411652 0.1135715 -0.0683984 -0.1190871 0.0451821 -0.1679940 0.1349295 0.1721464 0.0490277 -0.1345121
20 -0.1112023 0.0866575 -0.3089652 0.0743474 -0.0549059 0.1382545 0.1504698 0.2388371 -0.2226246 -0.1128325
21 0.1587940 0.2468401 0.0280599 0.2195942 0.1447084 -0.1535917 0.1676925 -0.2013401 0.0659447 -0.0036887
22 0.0051808 -0.1222692 -0.1139838 -0.0665683 -0.0151184 -0.2710819 0.0995037 0.0895463 0.0541521 0.0935666
23 -0.1076040 0.2902799 -0.3060773 0.2711768 -0.1625444 0.2243623 0.0117991 0.1022842 -0.3284566 -0.2186515
24 -0.1738405 -0.0407954 -0.0354258 0.1787036 0.0149663 -0.2196039 0.2317981 -0.2355318 0.0891339 -0.0316357
25 -0.0135106 -0.1080229 0.2099246 0.2892847 0.0676833 -0.1491114 -0.0936069 0.0487372 0.1614540 0.2090392
26 0.0506337 0.0078742 -0.1572422 0.1728290 -0.1747157 0.1112562 -0.1027648 0.0988604 0.0223832 -0.1221625
27 -0.1883530 -0.0566076 -0.1233001 -0.0147505 0.1181016 -0.1408910 0.2696354 -0.2999952 0.1688215 -0.2755623
28 -0.0103887 -0.1059977 -0.0798105 -0.0788759 -0.1748605 0.0935465 -0.0638392 -0.0879195 -0.0552997 -0.1048093
29 -0.0328128 0.0096251 0.3911402 -0.0332013 0.0577442 0.1034638 0.1936262 -0.1954700 -0.4420954 -0.0812761
30 0.0155229 0.1418896 -0.1262121 0.1320662 0.2666439 0.1103476 0.2856378 -0.0555495 0.1267178 -0.3386651
31 0.0725733 0.0448560 -0.0293465 -0.1567674 0.1136541 -0.1650578 0.2277892 -0.0134180 -0.2059680 0.1099636
32 -0.0727367 0.1158221 -0.2233004 0.1081785 -0.0610377 -0.1333394 -0.1146280 0.2096890 0.4197287 0.0203669
33 -0.0441173 -0.0054184 -0.0478293 0.1703471 -0.0096707 -0.1964968 0.2771370 0.1768618 -0.1395384 0.0444900
34 0.1591451 0.2364345 -0.0756209 -0.2638190 0.0262190 -0.1131156 -0.0917386 0.3072106 0.1557665 -0.1401816
35 -0.1113204 -0.2656616 -0.2074967 -0.4134155 0.0966646 0.0325415 0.1485173 -0.0333109 -0.0632166 -0.0853918
36 0.1264587 0.1857447 0.1213026 -0.1142662 0.3328771 0.3317459 -0.0856436 -0.1595906 0.2309912 -0.1951936
31 32 33 34 35 36 37 38 39 40
1 0.0103407 -0.0143731 -0.0394952 -0.0262089 -0.0414959 -0.0562465 0.0471855 -0.0425329 0.0803436 -0.0179191
2 -0.0313862 -0.0217896 0.0643021 -0.0511014 0.0341599 -0.0202288 0.0121053 0.0017811 0.0027630 0.0449513
3 -0.0497356 -0.0120693 -0.0526703 0.0100871 -0.0117816 0.0160895 0.0036139 -0.0089706 0.0056169 0.9628922
4 -0.0350359 0.0760119 0.1971703 0.1124930 0.1840492 0.2787935 -0.2336585 0.2779069 -0.4369469 0.0085042
5 0.0920452 0.1068731 -0.2598195 0.1493936 -0.1575964 0.0740743 -0.0919580 -0.0060908 -0.0156806 0.0065513
6 0.1663358 0.0202002 0.1901242 -0.0151384 0.0326436 -0.0707401 0.0109274 0.0334475 -0.0156404 0.2410766
7 0.0928924 0.0208319 0.0509012 -0.0681981 -0.1185021 0.0586087 -0.0115867 0.3836487 -0.2149653 -0.0034934
8 -0.1036659 0.1170560 -0.0337911 -0.1895276 -0.1034812 -0.0115079 -0.1816848 -0.0190323 -0.0146039 -0.0189963
9 0.1600183 0.1238858 0.0120914 -0.1250346 -0.0233661 -0.0184999 -0.0722051 -0.0106350 0.0334150 0.0881372
10 -0.1216856 0.0524731 0.0232449 0.1744135 0.3112013 0.0644030 -0.1158681 -0.3025186 -0.0838717 0.0113316
11 -0.1200985 -0.0004981 0.3480208 -0.2238831 0.0984675 -0.0439471 0.0137873 -0.0150279 -0.0392819 0.0159886
12 -0.2136029 -0.0568850 -0.3417397 0.1024045 0.0036391 0.0767950 0.0071656 0.0140771 -0.0185030 0.0412190
13 -0.1402344 0.1243605 -0.0276472 0.1245092 0.2442890 0.0692774 -0.1153986 0.0206346 -0.3757762 -0.0220741
14 0.1073485 -0.1472495 0.3564435 0.0861717 0.0805247 0.0233746 0.2376047 0.0403104 -0.0623241 -0.0123208
15 0.0260375 -0.1075278 0.3135962 0.0892673 0.0198349 -0.0211696 0.0395081 -0.0721553 -0.0753371 0.0222937
16 0.1467836 -0.1144263 0.0536246 0.0362707 0.1051683 0.0191574 -0.1096316 -0.4640114 0.2529110 -0.0198823
17 -0.2225537 -0.1989912 0.0199260 -0.0089172 -0.1464449 0.0253866 0.0730690 -0.0551546 -0.0190101 0.0062037
18 -0.2407233 0.2303285 -0.1173207 -0.4277168 0.2478600 -0.0844887 -0.1613838 -0.0595413 0.0139758 -0.0027497
19 -0.1760125 0.1246179 0.0884618 -0.0648480 -0.2127354 -0.0148247 0.2280083 0.4391614 0.2369794 -0.0153348
20 0.2350977 0.3078642 0.0303889 0.0119440 0.0556051 0.0239192 -0.0095858 0.0100554 0.1984763 0.0069866
21 -0.0298836 0.0617299 0.0972095 -0.2637456 0.3657551 -0.0627235 0.3329368 -0.0291558 -0.0265571 0.0022843
22 -0.3187296 0.1321203 0.3053297 0.1225303 -0.0819105 0.3354426 0.0408348 0.0581416 0.3797920 0.0086073
23 -0.0822339 0.1781237 0.0426335 0.0148715 -0.0136448 0.1024527 0.0775023 -0.2307241 0.0704546 -0.0041640
24 0.2095330 -0.0342463 -0.0122622 0.1809686 0.1678219 0.0775705 0.4320883 -0.0445856 -0.0485942 -0.0009078
25 -0.0066720 0.1899681 0.3068141 -0.0547693 -0.1806164 0.4250047 -0.0904193 -0.2161660 -0.0230654 -0.0056306
26 -0.3419027 -0.1202187 -0.0210967 0.0762459 -0.1343732 0.0863422 0.2456793 -0.2255353 -0.2764409 0.0029069
27 0.2221340 -0.0768881 -0.0621704 0.3549282 -0.1238803 0.1206650 0.0226838 -0.0043102 0.0011620 -0.0001478
28 -0.3149609 -0.3257476 -0.1364878 0.2221514 0.3631273 0.0431445 -0.0135382 0.2222093 0.2794278 -0.0043906
29 0.1334169 0.0695948 0.0182114 -0.0707663 0.1291500 0.1238180 -0.1243336 0.0743906 0.2428889 0.0023067
30 -0.0214946 -0.3059340 0.0742766 -0.0070258 -0.2013625 0.0757213 -0.3838153 -0.0747298 0.0022839 -0.0006333
31 -0.0654231 0.1646200 0.1800199 0.1248220 -0.2757882 -0.5320139 0.0101469 -0.1031535 -0.1594176 -0.0029390
32 0.0742078 0.0664745 0.0922858 0.2224788 0.2203041 -0.2966629 -0.1931388 0.0881003 0.0066304 0.0025159
33 -0.0024597 -0.4592222 0.1432421 -0.2793276 -0.0827362 -0.0633454 -0.2185192 0.0423352 0.0061295 0.0006667
34 0.3431818 -0.1507871 -0.1875379 -0.2689097 0.0510449 0.3535134 0.0726353 0.0433977 -0.1135722 0.0000000
35 -0.1154933 0.0225020 -0.1698690 -0.2115855 -0.1809468 0.1001980 0.2679521 -0.1326788 -0.1734085 0.0000000
36 -0.1195185 0.3170376 -0.0412142 0.1663029 -0.0759249 0.0933702 -0.1270637 0.0275643 0.0046933 0.0000000
41 42 43 44 45 46 47 48 49 50
1 0.0038483 -0.0346105 0.0104098 -0.0260009 0.0480627 -0.0053846 0.0028680 0.0429768 -0.0243102 -0.0514719
2 0.0336815 -0.0113683 0.0332672 -0.0572239 -0.0433544 0.0598328 0.0399933 0.0089231 -0.0716119 0.0757758
3 0.0434699 -0.0426941 0.0351114 -0.0614260 -0.0298373 -0.0755290 0.0441477 0.0494529 0.0445929 0.0555624
4 -0.0004510 0.0090330 -0.0214196 0.0616241 -0.0593261 0.0309186 -0.0213002 -0.1079553 0.0405668 0.1533899
5 0.0026625 0.0192241 -0.0338167 0.0633857 0.0506824 -0.1180839 -0.0678617 -0.0224347 0.1715580 -0.1898539
6 -0.0081144 0.0033190 -0.0237090 0.0563747 0.0265824 0.1189405 -0.0503964 -0.1013114 -0.1032809 -0.1588968
7 0.0048885 -0.1551903 0.0199923 -0.1883109 0.2843381 -0.0225897 0.0466619 0.1934659 -0.1728082 -0.3018770
8 0.1453444 -0.0398760 0.1884460 -0.2037581 -0.2297934 0.2028814 0.1855785 -0.0130539 -0.2905389 0.2743627
9 -0.0950536 0.1341870 -0.1530188 0.1910921 0.1978207 0.3359878 -0.1843898 -0.1691442 -0.1964524 -0.2121012
10 0.1084780 -0.2293527 -0.0654885 0.0867121 0.0634069 0.0410149 0.0293165 0.0321680 0.0990473 0.1050939
11 -0.2908335 -0.0603192 -0.0773379 0.3077124 0.2523850 -0.3104132 -0.1221808 0.0656122 0.1168018 -0.1103728
12 -0.0868134 0.2334401 -0.1078073 0.1883134 0.1883691 0.3907270 -0.0748169 -0.0846695 -0.1918950 -0.0658675
13 0.0584338 -0.1777768 -0.0910901 -0.0795815 0.1493782 0.0385623 0.1530851 0.2164930 -0.1061915 -0.2315943
14 0.4786383 0.0953093 0.0276610 -0.1807316 -0.2311692 0.2046912 0.0694463 -0.0856253 0.1087768 -0.2745837
15 -0.0548866 0.4230994 -0.0597322 0.0837009 0.1361487 0.3190380 -0.1540044 0.2483376 -0.1577624 0.2524494
16 0.1114647 -0.2854024 0.0227438 -0.1743696 0.3707216 0.1255376 0.0712006 0.2389573 -0.1256619 -0.1006995
17 0.1711102 -0.0444839 -0.2951800 0.2601216 0.1058903 0.1867565 0.4465478 -0.2290332 0.3485566 -0.1533470
18 0.3898327 0.3035954 0.0300593 -0.0890985 0.0170948 -0.0180008 -0.1805543 0.1194079 0.1498731 -0.2340309
19 0.2492979 -0.3420930 0.0042053 0.0275851 0.3426439 0.1846763 -0.0735070 0.0347730 0.0237577 0.2482115
20 0.0311969 0.2822524 0.2640986 0.3105253 0.1284389 -0.0034755 0.4312151 0.2054030 0.1432581 0.0411263
21 -0.3501942 -0.2028038 0.1740517 0.0546635 -0.1580642 0.2087253 0.2340402 -0.1312307 -0.1323678 -0.0218279
22 -0.2200365 0.1915591 -0.2251218 -0.2535160 -0.1654750 -0.0967776 0.1214102 0.0998777 -0.1110177 -0.3089062
23 0.0408898 -0.2556970 -0.2411039 -0.0451806 -0.1861710 0.0697481 -0.3755017 -0.1695105 -0.0426996 -0.0407728
24 0.2458051 0.1704142 -0.2154085 -0.0309218 0.1892929 -0.3382482 -0.1331391 -0.0214297 -0.1162207 0.2201736
25 0.1560152 -0.0783408 0.3563626 0.2415814 0.0892793 -0.0221921 -0.1301256 -0.2575630 0.0178276 0.0537603
26 -0.1820718 0.2099136 0.3540745 -0.2990613 0.2761254 -0.0234532 0.0225758 -0.0466537 0.0831697 0.0119091
27 -0.1368067 -0.1024766 0.2646943 0.0232087 -0.1491283 0.2654453 -0.1151844 0.1607443 0.2258187 -0.1909695
28 0.1242109 -0.0209567 0.3817567 0.2365703 0.0071397 -0.1186700 -0.1429045 -0.1531232 -0.1922057 -0.1683135
29 -0.1378687 0.1190286 0.0774549 -0.3652563 0.2532483 0.0098884 -0.0060406 -0.3904419 0.1337995 0.0228486
30 0.0833481 0.0349317 -0.1336111 0.0273635 0.0773616 -0.1706748 0.2488311 -0.2016499 -0.3385582 0.0554743
31 0.0694069 0.0179781 0.2259391 0.0684540 0.0055185 -0.1505274 -0.0556346 -0.2333999 -0.2187140 -0.3086018
32 -0.1010753 0.0262488 -0.0937515 -0.2560602 0.1853739 0.1000466 0.0448921 -0.3802385 0.2676225 0.0738759
33 -0.0687835 -0.0136064 0.0765614 -0.0441704 -0.0336092 0.0802129 -0.2645856 0.2122404 0.3409419 0.0457474
34 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
35 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
36 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
51 52 53 54 55 56 57 58 59 60
1 -0.0551995 -0.0351893 0.0218597 0.0006446 -0.0688543 -0.0477397 0.0454202 0.0388992 0.0266359 0.0059713
2 -0.0812229 0.0517859 -0.0135172 -0.1663748 0.0559295 -0.0430505 0.0271855 0.0272023 -0.0328409 -0.0310899
3 -0.0663417 -0.1188889 0.0106326 -0.0130362 0.0248698 0.1004981 -0.0262424 0.0972084 0.0303682 -0.0515806
4 0.1819159 0.1157673 -0.0767519 0.0140521 0.3429540 0.2104128 -0.1796670 -0.1757237 -0.1301035 0.0083100
5 0.2311962 -0.1096656 0.1076006 0.6221981 -0.2302725 0.2310136 -0.1006071 -0.1338771 0.1847262 0.1267243
6 0.1930166 0.3606995 0.0592818 0.0829022 -0.1182103 -0.4289957 0.0405881 -0.4358265 -0.1824569 0.1993336
7 -0.2464798 -0.1132382 0.0816012 0.0950750 0.1347309 -0.0654399 0.1373193 -0.0406907 -0.0457984 0.2027478
8 -0.1685276 0.3669326 0.3229282 0.0373416 -0.1207894 0.3307347 0.0200395 -0.1468248 0.2929853 0.0470127
9 0.0984172 0.2231721 -0.4262957 -0.0448518 0.0058075 0.1865438 0.3069003 0.2389766 0.3377337 0.0893536
10 0.1768751 0.0872170 -0.1298770 -0.0700119 -0.1447075 0.0704928 -0.1707682 0.0876940 0.0069453 -0.2377698
11 0.0961537 0.0842511 0.4974571 -0.1348186 -0.0826995 0.2608898 0.0829456 -0.0044149 0.1221105 -0.0876628
12 0.0165826 0.1224473 0.4390838 0.0119269 -0.0028850 -0.1867740 -0.2078747 0.1397717 -0.1894832 -0.2530344
13 -0.2357387 -0.0137306 -0.0320210 -0.0442967 -0.2898188 -0.0755128 0.0116567 0.2376707 0.0670295 -0.1234278
14 0.2204410 -0.0203185 0.2127649 0.1435876 -0.1536047 0.0921635 0.1966299 0.2368028 -0.1024363 -0.1192994
15 -0.1845127 -0.4298396 -0.0271484 0.0976216 -0.1139247 0.2075535 -0.1094578 -0.1886094 -0.0580320 0.0522311
16 0.0503196 0.0575229 0.0058333 0.0955361 0.1702044 0.1102438 -0.0579130 -0.2321674 -0.1103227 0.0505342
17 -0.2620019 0.0593213 -0.0978247 -0.1032499 0.0405504 0.1820175 -0.1171311 -0.1931736 -0.0255846 0.1920098
18 0.1117218 -0.1473227 0.0203043 -0.1175695 0.2093967 -0.1185670 -0.2104224 -0.1025115 0.2088034 0.0801567
19 0.2457844 -0.0451967 -0.0389305 -0.0125533 0.0552692 0.0425760 -0.2016399 0.0551640 0.0928366 -0.2026742
20 -0.0829439 0.1147566 0.0918459 0.1416058 0.2913161 -0.0075174 0.1435843 0.2268545 -0.1323466 -0.0029638
21 0.0529298 -0.1469813 -0.0446204 0.3356369 0.0604559 -0.0992874 -0.2766958 0.1198115 0.1188624 0.1597057
22 -0.0550106 0.1094281 -0.1120120 0.0082286 0.0608549 0.0366043 -0.2295675 -0.1089037 0.1349136 -0.3574101
23 -0.1942648 -0.0888931 0.2060805 0.1224253 0.4314287 0.1354632 0.1617713 0.1502936 -0.2044504 0.0896535
24 -0.2122132 0.3240842 0.0274856 0.0929303 0.0445145 -0.0941663 -0.2073587 0.1117731 0.2593041 0.2577449
25 -0.2265651 -0.1375784 -0.0209892 0.0250729 -0.1815029 -0.3089176 0.0280724 -0.0544412 0.1413790 -0.1151315
26 0.2403094 0.1419361 -0.0888887 0.0227853 0.2122173 0.0810416 0.1659247 0.0168942 0.0030437 -0.0850104
27 0.0200354 -0.0258407 0.1917690 -0.3256084 0.1498989 -0.0612975 -0.2023870 0.0562801 0.4026741 0.2807688
28 -0.1788076 0.0049041 -0.0757330 0.0757091 0.0329651 0.1825635 0.1165735 -0.1275904 -0.0354227 -0.0472558
29 -0.0299676 -0.0438367 0.0647488 -0.1861717 -0.2966795 0.1472220 -0.1731284 0.2078563 -0.2737019 0.3482897
30 0.2346288 -0.1984610 0.1059711 0.1019648 0.1973850 -0.2001810 -0.0666991 0.2972164 0.1620928 0.1266489
31 -0.1342658 0.0477973 -0.0850149 -0.0756568 0.0849853 0.2399003 -0.4647727 0.0186792 -0.1455704 -0.1958809
32 -0.2551468 -0.0987528 0.1183386 0.1553357 0.1793532 -0.1527511 0.1434815 -0.1846857 0.3133852 -0.3692333
33 -0.2534123 0.3615490 -0.1272026 0.3635921 -0.0026612 -0.0953298 -0.1844792 0.2960088 -0.1175419 -0.0221148
34 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
35 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
36 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
61 62 63 64 65 66 67 68 69
1 0.0397539 -0.0338848 -0.0040378 0.0063010 0.0503946 -0.0807342 0.0321132 -0.0266469 0.0876929
2 -0.0203391 -0.0235386 -0.0572290 -0.0723465 -0.0361669 -0.0233381 0.0141575 0.0032762 0.0024081
3 -0.0511316 -0.0811005 0.0453136 0.0394906 0.0053901 0.0193355 -0.0038863 -0.0066896 0.0079703
4 -0.2079854 0.1501024 0.0409538 -0.0497606 -0.2336453 0.4022163 -0.1693619 0.1947314 -0.4817253
5 0.1113520 0.0734648 0.2410712 0.2559778 0.1349384 0.0714362 -0.1157097 -0.0130046 -0.0141298
6 0.2497172 0.2953772 -0.1992044 -0.1269762 0.0044279 -0.0796076 0.0397888 0.0271680 -0.0237437
7 -0.1121955 -0.0496026 0.0985525 -0.1055879 0.0838907 0.0828802 -0.0753390 0.3589693 -0.2575130
8 0.1397933 -0.0489675 0.0874262 -0.1081065 -0.0162414 -0.0724242 -0.2393341 -0.0239315 -0.0119444
9 -0.1248291 0.0811494 0.1137618 -0.1043628 -0.0225073 -0.0640752 -0.0923991 -0.0097066 0.0332296
10 0.1415020 0.1879748 -0.0951493 0.1288682 -0.2791550 0.1075195 0.0372228 -0.3360131 -0.0634265
11 -0.0546526 -0.0338068 -0.2049187 -0.3868574 -0.1177056 -0.0515552 0.0199769 -0.0175640 -0.0386738
12 -0.0672039 -0.3006315 0.2148727 0.3026356 -0.0273585 0.0847982 -0.0078455 0.0161131 -0.0127295
13 0.3359016 0.1467019 -0.0132992 0.0963846 -0.2444876 0.1138290 0.0076263 -0.0453696 -0.3906265
14 -0.2707819 0.0667723 -0.2428637 -0.1916494 0.0605982 0.1080044 0.2805143 0.0422830 -0.0643783
15 0.0879380 0.1688173 -0.3139257 -0.1397387 0.0685205 0.0399632 0.0945662 -0.0879730 -0.0760705
16 -0.3819290 0.0111564 -0.0351851 0.0328725 -0.0722417 0.0283414 -0.0478892 -0.4510366 0.2908789
17 0.1326973 -0.3137773 -0.1368648 -0.0318579 0.1544004 0.0630185 0.0256036 -0.0459668 -0.0122297
18 0.1777692 -0.1858688 0.1687809 -0.2109592 -0.4281339 -0.2153054 -0.1625635 -0.0616419 0.0209600
19 0.2436181 0.0280795 0.0002399 -0.1495308 0.1833997 -0.0353836 0.0914914 0.4983426 0.2118373
20 0.1170260 0.4203110 0.1931445 -0.0408765 -0.0622784 -0.0138277 0.0078467 0.0264185 0.1986937
21 -0.0441283 -0.1534011 0.0238498 -0.2825742 -0.3162278 -0.1051879 0.3771074 -0.0080840 -0.0060706
22 0.1004360 0.0638834 -0.0293648 -0.1775209 0.0504087 0.4244954 -0.0165951 0.1055665 0.3811490
23 0.3919353 0.1168842 0.0907520 -0.0778227 0.0166641 0.1088845 0.0790752 -0.2123423 0.1047657
24 -0.1294464 0.0459573 0.0036420 0.0761998 0.0039126 0.1274665 0.4865048 -0.0212598 -0.0201037
25 -0.0702381 -0.0180247 0.1950229 -0.3464464 0.1546758 0.4405351 -0.1348981 -0.2321277 0.0126171
26 0.3441496 -0.3130785 -0.0853863 0.0054996 0.1976544 0.1352393 0.2185736 -0.2218398 -0.2257842
27 -0.0486993 0.2308760 -0.1652525 0.2746208 0.1951589 0.1690350 0.0515313 -0.0061294 0.0062695
28 0.0789727 -0.1382265 -0.3657271 0.3517965 -0.3648339 0.1306798 0.0597703 0.2421189 0.2365916
29 0.0323442 0.1760006 0.0523130 -0.0390337 -0.1987058 0.1113895 -0.1271428 0.0830140 0.2235870
30 0.0580113 0.0015882 -0.4332894 0.0366284 0.1036133 0.0465153 -0.4191131 -0.1029284 -0.0015647
31 -0.0180351 0.2180728 0.0237997 -0.0592197 0.3150352 -0.3884538 0.0293462 -0.0956111 -0.1892334
32 -0.1346535 0.2434408 -0.1196174 0.1263471 -0.1332642 -0.2311488 0.0028019 0.0373691 -0.0663950
33 -0.0536016 -0.1457722 -0.3205864 -0.1284229 0.0266695 -0.0815474 -0.3254919 0.0300497 -0.0069473
34 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
35 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
36 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Iter=13 L=6 The G Matrix
0 1 2 3 4
0 0.123905035321456 0.003064670029766 -0.000100906869357 0.000470008954764 0.001234159964908
1 0.000000000000000 0.197065131409033 0.001425343473557 0.001844338051883 -0.000322318577907
2 0.000000000000000 -0.000000000000000 0.237243850547695 -0.000249974283725 -0.000649569538034
3 0.000000000000873 0.000000000000022 -0.000000000000001 0.932186537235745 0.194679166797429
4 0.000000000003409 -0.000000000000325 -0.000000000000006 0.197143123800143 0.795964576048000
5 -0.000000000005665 0.000000000001194 -0.000000000000264 -0.028618681658261 -0.110151145242192
5
0 -0.000152350248274
1 -0.001166100283403
2 0.000811868452216
3 -0.028746456804777
4 -0.109594173368744
5 0.837665316618951
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000256517779
Norm of residual vector 0 after precondition 0.0000256517779
1 0.1239050353 -6.29e-15 2.57e-05 N
Norm of residual vector af preconditioning 0.0000145003157
Norm of residual vector 1 before precondition 0.0002743930622
Norm of residual vector 1 after precondition 0.0002743930622
2 0.1970651314 1.11e-16 2.74e-04 N
Norm of residual vector af preconditioning 0.0001733539843
Norm of residual vector 2 before precondition 0.0000593878960
Norm of residual vector 2 after precondition 0.0000593878960
3 0.2372438505 2.22e-16 5.94e-05 N
Norm of residual vector af preconditioning 0.0000404466402
Iter=14 L=9 resetting norm
SigmaSS, D(norm sigma)= 0.2762690040
FSD , D(norm sigma)= 0.0000711375
WamefSD, D(norm sigma)= 0.0143605983
WmnieSD, D(norm sigma)= -0.0040186184
WmaijDS, D(norm sigma)= 0.0150665013
WabejDS, D(norm sigma)= 0.0007506440
WnmjeDS, D(norm sigma)= 0.0001756989
WbmfeDS, D(norm sigma)= -0.0000589515
Fbe_FDD , D(norm sigma)= 0.7141522707
Fmj_DD, D(norm sigma)= 0.9136200273
WmnijDD, D(norm sigma)= 0.4491794845
WabefDD, D(norm sigma)= 0.2347693954
WmbejDD, D(norm sigma)= -0.9310702955
WmnefDD XAF, D(norm sigma)= 0.0010070602
WmnefDD XLI, D(norm sigma)= 0.0000789488
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2993698688
FSD , D(norm sigma)= -0.0000278227
WamefSD, D(norm sigma)= -0.0017028672
WmnieSD, D(norm sigma)= 0.0005500358
WmaijDS, D(norm sigma)= 0.0205785918
WabejDS, D(norm sigma)= -0.0000813460
WnmjeDS, D(norm sigma)= 0.0000588175
WbmfeDS, D(norm sigma)= -0.0003183455
Fbe_FDD , D(norm sigma)= 0.7480433744
Fmj_DD, D(norm sigma)= 0.8000839526
WmnijDD, D(norm sigma)= 0.4005291592
WabefDD, D(norm sigma)= 0.2173269461
WmbejDD, D(norm sigma)= -0.9436171615
WmnefDD XAF, D(norm sigma)= 0.0008508095
WmnefDD XLI, D(norm sigma)= 0.0001754685
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2927080652
FSD , D(norm sigma)= 0.0000289522
WamefSD, D(norm sigma)= -0.0035754448
WmnieSD, D(norm sigma)= 0.0167359907
WmaijDS, D(norm sigma)= 0.0194523328
WabejDS, D(norm sigma)= 0.0011984165
WnmjeDS, D(norm sigma)= -0.0000151381
WbmfeDS, D(norm sigma)= -0.0000019238
Fbe_FDD , D(norm sigma)= 0.5554380183
Fmj_DD, D(norm sigma)= 0.8333524330
WmnijDD, D(norm sigma)= 0.4199640834
WabefDD, D(norm sigma)= 0.1951209524
WmbejDD, D(norm sigma)= -0.9076187500
WmnefDD XAF, D(norm sigma)= 0.0008308347
WmnefDD XLI, D(norm sigma)= 0.0001153506
resetting norm
The G Matrix
0 1 2 3 4
0 0.123905035321456 0.003064670029766 -0.000100906869357 0.000470008954764 0.001234159964908
1 0.000000000000000 0.197065131409033 0.001425343473557 0.001844338051883 -0.000322318577907
2 0.000000000000000 -0.000000000000000 0.237243850547695 -0.000249974283725 -0.000649569538034
3 0.000000000000873 0.000000000000022 -0.000000000000001 0.932186537235745 0.194679166797429
4 0.000000000003409 -0.000000000000325 -0.000000000000006 0.197143123800143 0.795964576048000
5 -0.000000000005665 0.000000000001194 -0.000000000000264 -0.028618681658261 -0.110151145242192
6 0.000022829280949 -0.000244880844768 -0.000040739987376 -0.405753731251458 -0.125933488325132
7 -0.000002549999615 -0.000026876560119 -0.000015160770110 -0.052717399688060 0.302068200218964
8 0.000001345383368 -0.000011600234540 -0.000008122010098 0.013757680191850 -0.010167100989009
5 6 7 8
0 -0.000152350248274 -0.000280830518641 -0.000825206299535 -0.000968497045448
1 -0.001166100283403 -0.001225927213041 -0.000454146028797 -0.000550883485990
2 0.000811868452216 0.000147017413222 -0.000202167432877 -0.001311198348945
3 -0.028746456804777 -0.406950185995697 -0.052156792879804 0.013673617547823
4 -0.109594173368744 -0.126111535558628 0.302710612671863 -0.011159164685525
5 0.837665316618951 0.003799492013916 -0.071349490507686 0.328814911503003
6 0.004075712428545 1.411069264071111 -0.114100941034236 0.070359083796352
7 -0.071334012883855 -0.113271349493389 1.204330592575187 -0.077378243368539
8 0.328303777638420 0.072007332163199 -0.077562396731618 1.196711708888304
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000080032555
Norm of residual vector 0 after precondition 0.0000080032555
1 0.1239050346 -7.54e-10 8.00e-06 N
Norm of residual vector af preconditioning 0.0000046634801
Norm of residual vector 1 before precondition 0.0000997432461
Norm of residual vector 1 after precondition 0.0000997432461
2 0.1970650718 -5.96e-08 9.97e-05 N
Norm of residual vector af preconditioning 0.0000655155466
Norm of residual vector 2 before precondition 0.0000242037673
Norm of residual vector 2 after precondition 0.0000242037673
3 0.2372438437 -6.85e-09 2.42e-05 N
Norm of residual vector af preconditioning 0.0000173591744
Iter=15 L=12 resetting norm
SigmaSS, D(norm sigma)= 0.2876797712
FSD , D(norm sigma)= -0.0000015775
WamefSD, D(norm sigma)= 0.0007760801
WmnieSD, D(norm sigma)= 0.0048818874
WmaijDS, D(norm sigma)= 0.0129178125
WabejDS, D(norm sigma)= 0.0030563412
WnmjeDS, D(norm sigma)= 0.0000955672
WbmfeDS, D(norm sigma)= 0.0000461759
Fbe_FDD , D(norm sigma)= 0.7069181614
Fmj_DD, D(norm sigma)= 0.8963945392
WmnijDD, D(norm sigma)= 0.4483825103
WabefDD, D(norm sigma)= 0.2258843427
WmbejDD, D(norm sigma)= -0.9525568055
WmnefDD XAF, D(norm sigma)= 0.0007186384
WmnefDD XLI, D(norm sigma)= 0.0001736311
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3318291901
FSD , D(norm sigma)= -0.0000415834
WamefSD, D(norm sigma)= -0.0002585086
WmnieSD, D(norm sigma)= 0.0029292175
WmaijDS, D(norm sigma)= 0.0237223559
WabejDS, D(norm sigma)= 0.0022938491
WnmjeDS, D(norm sigma)= 0.0002420816
WbmfeDS, D(norm sigma)= 0.0001175197
Fbe_FDD , D(norm sigma)= 0.6618040609
Fmj_DD, D(norm sigma)= 0.7439342863
WmnijDD, D(norm sigma)= 0.3809548013
WabefDD, D(norm sigma)= 0.2031852926
WmbejDD, D(norm sigma)= -0.8409761175
WmnefDD XAF, D(norm sigma)= 0.0008741696
WmnefDD XLI, D(norm sigma)= 0.0001339054
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2552686619
FSD , D(norm sigma)= -0.0000168156
WamefSD, D(norm sigma)= -0.0008810170
WmnieSD, D(norm sigma)= 0.0037909059
WmaijDS, D(norm sigma)= 0.0152971086
WabejDS, D(norm sigma)= 0.0019275851
WnmjeDS, D(norm sigma)= -0.0000294148
WbmfeDS, D(norm sigma)= 0.0000361736
Fbe_FDD , D(norm sigma)= 0.6384802964
Fmj_DD, D(norm sigma)= 0.9048659474
WmnijDD, D(norm sigma)= 0.4273228728
WabefDD, D(norm sigma)= 0.2084054779
WmbejDD, D(norm sigma)= -0.9968638408
WmnefDD XAF, D(norm sigma)= 0.0011263961
WmnefDD XLI, D(norm sigma)= 0.0000350882
resetting norm
The G Matrix
0 1 2 3 4
0 0.123905035321456 0.003064670029766 -0.000100906869357 0.000470008954764 0.001234159964908
1 0.000000000000000 0.197065131409033 0.001425343473557 0.001844338051883 -0.000322318577907
2 0.000000000000000 -0.000000000000000 0.237243850547695 -0.000249974283725 -0.000649569538034
3 0.000000000000873 0.000000000000022 -0.000000000000001 0.932186537235745 0.194679166797429
4 0.000000000003409 -0.000000000000325 -0.000000000000006 0.197143123800143 0.795964576048000
5 -0.000000000005665 0.000000000001194 -0.000000000000264 -0.028618681658261 -0.110151145242192
6 0.000022829280949 -0.000244880844768 -0.000040739987376 -0.405753731251458 -0.125933488325132
7 -0.000002549999615 -0.000026876560119 -0.000015160770110 -0.052717399688060 0.302068200218964
8 0.000001345383368 -0.000011600234540 -0.000008122010098 0.013757680191850 -0.010167100989009
9 -0.000002253214077 0.000021706572379 0.000003203791383 -0.049116099812965 -0.064546418715713
10 0.000002139655757 -0.000030773857637 -0.000006169413767 0.020233823818677 0.041378416514606
11 0.000000228040668 -0.000001383218048 -0.000000313515730 -0.026356468313288 -0.066780008439007
5 6 7 8 9
0 -0.000152350248274 -0.000280830518641 -0.000825206299535 -0.000968497045448 -0.001518321649403
1 -0.001166100283403 -0.001225927213041 -0.000454146028797 -0.000550883485990 -0.000213807240314
2 0.000811868452216 0.000147017413222 -0.000202167432877 -0.001311198348945 0.000190376839715
3 -0.028746456804777 -0.406950185995697 -0.052156792879804 0.013673617547823 -0.048691592353782
4 -0.109594173368744 -0.126111535558628 0.302710612671863 -0.011159164685525 -0.065112413428157
5 0.837665316618951 0.003799492013916 -0.071349490507686 0.328814911503003 0.049165314846673
6 0.004075712428545 1.411069264071111 -0.114100941034236 0.070359083796352 -0.420142099905386
7 -0.071334012883855 -0.113271349493389 1.204330592575187 -0.077378243368539 0.035831619783920
8 0.328303777638420 0.072007332163199 -0.077562396731618 1.196711708888304 -0.017001145471640
9 0.049729790183119 -0.419408252742264 0.036579009040077 -0.017762298396736 1.360578658233104
10 -0.010837319422186 0.056558526647373 0.404353679257687 -0.060292057152459 0.078889650060456
11 -0.107929319655796 0.053252767377216 -0.070492077928348 0.278242502049582 -0.060739474596821
10 11
0 0.000817612620754 0.000416177712204
1 0.000171534289540 0.000038992081878
2 0.000130525037637 0.001691991917079
3 0.019864264796484 -0.027983182763330
4 0.040685878919689 -0.067475747755389
5 -0.008956453587669 -0.107906227412539
6 0.056693410292705 0.054331205249671
7 0.404505032545655 -0.071945583273652
8 -0.060253545740723 0.278845273400868
9 0.078446722486953 -0.059735375341159
10 1.185157080234885 -0.102323097198008
11 -0.102828559519204 1.228898180010607
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000027352828
Norm of residual vector 0 after precondition 0.0000027352828
1 0.1239050442 9.62e-09 2.74e-06 N
Norm of residual vector af preconditioning 0.0000016553596
Norm of residual vector 1 before precondition 0.0000392446107
Norm of residual vector 1 after precondition 0.0000392446107
2 0.1970650455 -2.63e-08 3.92e-05 N
Norm of residual vector af preconditioning 0.0000260068029
Norm of residual vector 2 before precondition 0.0000105074298
Norm of residual vector 2 after precondition 0.0000105074298
3 0.2372438369 -6.77e-09 1.05e-05 N
Norm of residual vector af preconditioning 0.0000072864962
Iter=16 L=15 resetting norm
SigmaSS, D(norm sigma)= 0.2414449560
FSD , D(norm sigma)= -0.0000015026
WamefSD, D(norm sigma)= 0.0076741183
WmnieSD, D(norm sigma)= 0.0052433323
WmaijDS, D(norm sigma)= 0.0112555122
WabejDS, D(norm sigma)= 0.0015693100
WnmjeDS, D(norm sigma)= 0.0000117643
WbmfeDS, D(norm sigma)= 0.0000762979
Fbe_FDD , D(norm sigma)= 0.7239755540
Fmj_DD, D(norm sigma)= 0.8749213616
WmnijDD, D(norm sigma)= 0.4439638230
WabefDD, D(norm sigma)= 0.2258195329
WmbejDD, D(norm sigma)= -0.9846404962
WmnefDD XAF, D(norm sigma)= 0.0011516163
WmnefDD XLI, D(norm sigma)= 0.0000328631
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3412397620
FSD , D(norm sigma)= -0.0000449407
WamefSD, D(norm sigma)= 0.0083060737
WmnieSD, D(norm sigma)= 0.0116124673
WmaijDS, D(norm sigma)= 0.0172749722
WabejDS, D(norm sigma)= 0.0034205676
WnmjeDS, D(norm sigma)= 0.0003565812
WbmfeDS, D(norm sigma)= 0.0002235576
Fbe_FDD , D(norm sigma)= 0.8377078785
Fmj_DD, D(norm sigma)= 0.8360973991
WmnijDD, D(norm sigma)= 0.4013534895
WabefDD, D(norm sigma)= 0.2365075223
WmbejDD, D(norm sigma)= -0.9684869313
WmnefDD XAF, D(norm sigma)= 0.0012740358
WmnefDD XLI, D(norm sigma)= 0.0000622578
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3064621329
FSD , D(norm sigma)= -0.0000771398
WamefSD, D(norm sigma)= 0.0001529851
WmnieSD, D(norm sigma)= 0.0039126035
WmaijDS, D(norm sigma)= 0.0215455144
WabejDS, D(norm sigma)= 0.0021236285
WnmjeDS, D(norm sigma)= 0.0000533644
WbmfeDS, D(norm sigma)= 0.0000286932
Fbe_FDD , D(norm sigma)= 0.6806072648
Fmj_DD, D(norm sigma)= 0.8386472877
WmnijDD, D(norm sigma)= 0.3991556809
WabefDD, D(norm sigma)= 0.2255073511
WmbejDD, D(norm sigma)= -0.9739591083
WmnefDD XAF, D(norm sigma)= 0.0008575904
WmnefDD XLI, D(norm sigma)= 0.0000662554
resetting norm
The G Matrix
0 1 2 3 4
0 0.123905035321456 0.003064670029766 -0.000100906869357 0.000470008954764 0.001234159964908
1 0.000000000000000 0.197065131409033 0.001425343473557 0.001844338051883 -0.000322318577907
2 0.000000000000000 -0.000000000000000 0.237243850547695 -0.000249974283725 -0.000649569538034
3 0.000000000000873 0.000000000000022 -0.000000000000001 0.932186537235745 0.194679166797429
4 0.000000000003409 -0.000000000000325 -0.000000000000006 0.197143123800143 0.795964576048000
5 -0.000000000005665 0.000000000001194 -0.000000000000264 -0.028618681658261 -0.110151145242192
6 0.000022829280949 -0.000244880844768 -0.000040739987376 -0.405753731251458 -0.125933488325132
7 -0.000002549999615 -0.000026876560119 -0.000015160770110 -0.052717399688060 0.302068200218964
8 0.000001345383368 -0.000011600234540 -0.000008122010098 0.013757680191850 -0.010167100989009
9 -0.000002253214077 0.000021706572379 0.000003203791383 -0.049116099812965 -0.064546418715713
10 0.000002139655757 -0.000030773857637 -0.000006169413767 0.020233823818677 0.041378416514606
11 0.000000228040668 -0.000001383218048 -0.000000313515730 -0.026356468313288 -0.066780008439007
12 0.000002256252244 -0.000021667768720 -0.000002848227366 -0.069252533758894 0.013275907908703
13 0.000000466047733 0.000006524416475 0.000003585401032 -0.087465532841366 -0.192280515546813
14 -0.000001118430967 0.000016717814207 0.000005227794777 0.018285148506916 0.035182358132474
5 6 7 8 9
0 -0.000152350248274 -0.000280830518641 -0.000825206299535 -0.000968497045448 -0.001518321649403
1 -0.001166100283403 -0.001225927213041 -0.000454146028797 -0.000550883485990 -0.000213807240314
2 0.000811868452216 0.000147017413222 -0.000202167432877 -0.001311198348945 0.000190376839715
3 -0.028746456804777 -0.406950185995697 -0.052156792879804 0.013673617547823 -0.048691592353782
4 -0.109594173368744 -0.126111535558628 0.302710612671863 -0.011159164685525 -0.065112413428157
5 0.837665316618951 0.003799492013916 -0.071349490507686 0.328814911503003 0.049165314846673
6 0.004075712428545 1.411069264071111 -0.114100941034236 0.070359083796352 -0.420142099905386
7 -0.071334012883855 -0.113271349493389 1.204330592575187 -0.077378243368539 0.035831619783920
8 0.328303777638420 0.072007332163199 -0.077562396731618 1.196711708888304 -0.017001145471640
9 0.049729790183119 -0.419408252742264 0.036579009040077 -0.017762298396736 1.360578658233104
10 -0.010837319422186 0.056558526647373 0.404353679257687 -0.060292057152459 0.078889650060456
11 -0.107929319655796 0.053252767377216 -0.070492077928348 0.278242502049582 -0.060739474596821
12 -0.045728808676390 0.116120890777996 -0.024710609331182 -0.003769487146794 0.398988945830509
13 -0.000273335484295 0.083987405329080 -0.199318820194244 -0.033911616264166 0.002025374768381
14 -0.106138325670468 -0.071255635189411 -0.022625834167034 -0.184642893988936 0.016208563350499
10 11 12 13 14
0 0.000817612620754 0.000416177712204 0.000461444093388 -0.000501050540148 0.000204587265950
1 0.000171534289540 0.000038992081878 -0.000224966891516 -0.000070715925367 0.000972697829598
2 0.000130525037637 0.001691991917079 -0.000796743815391 0.001488065791864 0.000028605600090
3 0.019864264796484 -0.027983182763330 -0.070225102134439 -0.086058323440549 0.018079664668263
4 0.040685878919689 -0.067475747755389 0.012008486568454 -0.193518176487462 0.035360455067027
5 -0.008956453587669 -0.107906227412539 -0.046912396108837 0.000535366431457 -0.105102669353368
6 0.056693410292705 0.054331205249671 0.117183710708200 0.083015901464575 -0.072640861931562
7 0.404505032545655 -0.071945583273652 -0.024784127535090 -0.198908741732357 -0.022489178572607
8 -0.060253545740723 0.278845273400868 -0.004463886659153 -0.033923289284864 -0.184507376648018
9 0.078446722486953 -0.059735375341159 0.400475356361721 0.002598364511226 0.016757470779653
10 1.185157080234885 -0.102323097198008 0.067184371467474 0.340666032451736 -0.012437048057104
11 -0.102828559519204 1.228898180010607 0.008311754835111 -0.043607251606353 0.348312698269420
12 0.067639040927182 0.009050756410478 1.242030282660382 0.062655983318901 -0.080873123456358
13 0.340398353320681 -0.044187438517788 0.062918461710037 1.379909848279025 -0.120798457065450
14 -0.011974915415360 0.349691256000605 -0.080105475699262 -0.121675353859703 1.202698516901845
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000010870566
Norm of residual vector 0 after precondition 0.0000010870566
1 0.1239050465 2.34e-09 1.09e-06 N
Norm of residual vector af preconditioning 0.0000006755106
Norm of residual vector 1 before precondition 0.0000177057829
Norm of residual vector 1 after precondition 0.0000177057829
2 0.1970650388 -6.71e-09 1.77e-05 N
Norm of residual vector af preconditioning 0.0000123495826
Norm of residual vector 2 before precondition 0.0000050029210
Norm of residual vector 2 after precondition 0.0000050029210
3 0.2372438514 1.44e-08 5.00e-06 N
Norm of residual vector af preconditioning 0.0000038107700
Iter=17 L=18 resetting norm
SigmaSS, D(norm sigma)= 0.2661204507
FSD , D(norm sigma)= 0.0000720476
WamefSD, D(norm sigma)= 0.0032847234
WmnieSD, D(norm sigma)= 0.0091738840
WmaijDS, D(norm sigma)= 0.0126416834
WabejDS, D(norm sigma)= 0.0039545489
WnmjeDS, D(norm sigma)= 0.0000313550
WbmfeDS, D(norm sigma)= 0.0001923380
Fbe_FDD , D(norm sigma)= 0.7061138902
Fmj_DD, D(norm sigma)= 0.8768977074
WmnijDD, D(norm sigma)= 0.4393844806
WabefDD, D(norm sigma)= 0.2222683964
WmbejDD, D(norm sigma)= -0.9658146981
WmnefDD XAF, D(norm sigma)= 0.0008185336
WmnefDD XLI, D(norm sigma)= 0.0000837117
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3526977856
FSD , D(norm sigma)= -0.0000913229
WamefSD, D(norm sigma)= -0.0016823418
WmnieSD, D(norm sigma)= 0.0029410459
WmaijDS, D(norm sigma)= 0.0191174484
WabejDS, D(norm sigma)= 0.0036629703
WnmjeDS, D(norm sigma)= 0.0001788591
WbmfeDS, D(norm sigma)= -0.0000296618
Fbe_FDD , D(norm sigma)= 0.8890877912
Fmj_DD, D(norm sigma)= 0.7831266394
WmnijDD, D(norm sigma)= 0.3858778019
WabefDD, D(norm sigma)= 0.2438011146
WmbejDD, D(norm sigma)= -0.9910980676
WmnefDD XAF, D(norm sigma)= 0.0010126880
WmnefDD XLI, D(norm sigma)= 0.0003620845
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3075836971
FSD , D(norm sigma)= -0.0000063107
WamefSD, D(norm sigma)= -0.0052978361
WmnieSD, D(norm sigma)= 0.0058663933
WmaijDS, D(norm sigma)= 0.0213102483
WabejDS, D(norm sigma)= 0.0048460402
WnmjeDS, D(norm sigma)= 0.0002065706
WbmfeDS, D(norm sigma)= 0.0002340029
Fbe_FDD , D(norm sigma)= 0.7397653294
Fmj_DD, D(norm sigma)= 0.8173577459
WmnijDD, D(norm sigma)= 0.4009966744
WabefDD, D(norm sigma)= 0.2127406215
WmbejDD, D(norm sigma)= -0.9647761089
WmnefDD XAF, D(norm sigma)= 0.0009343575
WmnefDD XLI, D(norm sigma)= 0.0000872868
resetting norm
The G Matrix
0 1 2 3 4
0 0.123905035321456 0.003064670029766 -0.000100906869357 0.000470008954764 0.001234159964908
1 0.000000000000000 0.197065131409033 0.001425343473557 0.001844338051883 -0.000322318577907
2 0.000000000000000 -0.000000000000000 0.237243850547695 -0.000249974283725 -0.000649569538034
3 0.000000000000873 0.000000000000022 -0.000000000000001 0.932186537235745 0.194679166797429
4 0.000000000003409 -0.000000000000325 -0.000000000000006 0.197143123800143 0.795964576048000
5 -0.000000000005665 0.000000000001194 -0.000000000000264 -0.028618681658261 -0.110151145242192
6 0.000022829280949 -0.000244880844768 -0.000040739987376 -0.405753731251458 -0.125933488325132
7 -0.000002549999615 -0.000026876560119 -0.000015160770110 -0.052717399688060 0.302068200218964
8 0.000001345383368 -0.000011600234540 -0.000008122010098 0.013757680191850 -0.010167100989009
9 -0.000002253214077 0.000021706572379 0.000003203791383 -0.049116099812965 -0.064546418715713
10 0.000002139655757 -0.000030773857637 -0.000006169413767 0.020233823818677 0.041378416514606
11 0.000000228040668 -0.000001383218048 -0.000000313515730 -0.026356468313288 -0.066780008439007
12 0.000002256252244 -0.000021667768720 -0.000002848227366 -0.069252533758894 0.013275907908703
13 0.000000466047733 0.000006524416475 0.000003585401032 -0.087465532841366 -0.192280515546813
14 -0.000001118430967 0.000016717814207 0.000005227794777 0.018285148506916 0.035182358132474
15 -0.000000704360623 0.000008115163667 0.000001600357997 -0.094134607195803 -0.072416892925838
16 0.000002113703944 -0.000015488995302 -0.000000916554220 -0.085639053358942 0.032065185225831
17 -0.000000709666243 0.000008559064120 0.000001320870668 -0.006960656788406 0.010143994777613
5 6 7 8 9
0 -0.000152350248274 -0.000280830518641 -0.000825206299535 -0.000968497045448 -0.001518321649403
1 -0.001166100283403 -0.001225927213041 -0.000454146028797 -0.000550883485990 -0.000213807240314
2 0.000811868452216 0.000147017413222 -0.000202167432877 -0.001311198348945 0.000190376839715
3 -0.028746456804777 -0.406950185995697 -0.052156792879804 0.013673617547823 -0.048691592353782
4 -0.109594173368744 -0.126111535558628 0.302710612671863 -0.011159164685525 -0.065112413428157
5 0.837665316618951 0.003799492013916 -0.071349490507686 0.328814911503003 0.049165314846673
6 0.004075712428545 1.411069264071111 -0.114100941034236 0.070359083796352 -0.420142099905386
7 -0.071334012883855 -0.113271349493389 1.204330592575187 -0.077378243368539 0.035831619783920
8 0.328303777638420 0.072007332163199 -0.077562396731618 1.196711708888304 -0.017001145471640
9 0.049729790183119 -0.419408252742264 0.036579009040077 -0.017762298396736 1.360578658233104
10 -0.010837319422186 0.056558526647373 0.404353679257687 -0.060292057152459 0.078889650060456
11 -0.107929319655796 0.053252767377216 -0.070492077928348 0.278242502049582 -0.060739474596821
12 -0.045728808676390 0.116120890777996 -0.024710609331182 -0.003769487146794 0.398988945830509
13 -0.000273335484295 0.083987405329080 -0.199318820194244 -0.033911616264166 0.002025374768381
14 -0.106138325670468 -0.071255635189411 -0.022625834167034 -0.184642893988936 0.016208563350499
15 0.004492421035662 -0.032582041824536 0.003778980769346 -0.036401564798089 0.159334481964683
16 -0.084507330581076 0.133887385166690 -0.168290427480158 -0.015177527013394 -0.029181220695430
17 0.020672819638568 -0.028976033493770 0.025565995865925 0.096131694307146 -0.001697430836968
10 11 12 13 14
0 0.000817612620754 0.000416177712204 0.000461444093388 -0.000501050540148 0.000204587265950
1 0.000171534289540 0.000038992081878 -0.000224966891516 -0.000070715925367 0.000972697829598
2 0.000130525037637 0.001691991917079 -0.000796743815391 0.001488065791864 0.000028605600090
3 0.019864264796484 -0.027983182763330 -0.070225102134439 -0.086058323440549 0.018079664668263
4 0.040685878919689 -0.067475747755389 0.012008486568454 -0.193518176487462 0.035360455067027
5 -0.008956453587669 -0.107906227412539 -0.046912396108837 0.000535366431457 -0.105102669353368
6 0.056693410292705 0.054331205249671 0.117183710708200 0.083015901464575 -0.072640861931562
7 0.404505032545655 -0.071945583273652 -0.024784127535090 -0.198908741732357 -0.022489178572607
8 -0.060253545740723 0.278845273400868 -0.004463886659153 -0.033923289284864 -0.184507376648018
9 0.078446722486953 -0.059735375341159 0.400475356361721 0.002598364511226 0.016757470779653
10 1.185157080234885 -0.102323097198008 0.067184371467474 0.340666032451736 -0.012437048057104
11 -0.102828559519204 1.228898180010607 0.008311754835111 -0.043607251606353 0.348312698269420
12 0.067639040927182 0.009050756410478 1.242030282660382 0.062655983318901 -0.080873123456358
13 0.340398353320681 -0.044187438517788 0.062918461710037 1.379909848279025 -0.120798457065450
14 -0.011974915415360 0.349691256000605 -0.080105475699262 -0.121675353859703 1.202698516901845
15 0.032611409150342 -0.036598207956204 -0.405253800956382 -0.023314934855022 0.010439731818370
16 -0.222590258677976 0.042131192110415 0.020708723696829 0.375648987392355 0.029811718590668
17 0.020202011755718 0.098270607110843 -0.029380925204719 0.007080560742408 -0.389197283432647
15 16 17
0 -0.000579140986956 0.001046021046861 0.000256151695529
1 0.000315519234485 0.000268369484886 -0.000183399106117
2 0.000875956505669 -0.000674942645338 -0.000846003798662
3 -0.094827771297884 -0.085242828911667 -0.006355748714493
4 -0.071793872612723 0.029910536933648 0.009702114703598
5 0.004286633235032 -0.083971481568710 0.020451285826031
6 -0.031584161739103 0.134283327696989 -0.030604010818963
7 0.002331099877036 -0.169412373871566 0.026877046887670
8 -0.036869740539411 -0.016621635819738 0.096888725690517
9 0.159275379287707 -0.029896658617018 -0.002150987269840
10 0.033632749136263 -0.222900476708357 0.020187038743981
11 -0.035590480106161 0.042725266320929 0.097581365836091
12 -0.404712226115553 0.021633422297842 -0.029354629052908
13 -0.023338003496744 0.375202791847043 0.007444035091289
14 0.009201336810354 0.030477895189400 -0.388700583093663
15 1.299078371966231 -0.118158625242057 -0.008953000102936
16 -0.118012450268483 1.267085395007217 0.104425147370973
17 -0.009387750625816 0.105538625445441 1.225625957404820
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000004191391
Norm of residual vector 0 after precondition 0.0000004191391
1 0.1239050466 8.33e-11 4.19e-07 Y
Norm of residual vector 1 before precondition 0.0000081094271
Norm of residual vector 1 after precondition 0.0000081094271
2 0.1970650254 -1.34e-08 8.11e-06 N
Norm of residual vector af preconditioning 0.0000053097160
Norm of residual vector 2 before precondition 0.0000026274823
Norm of residual vector 2 after precondition 0.0000026274823
3 0.2372438517 3.86e-10 2.63e-06 N
Norm of residual vector af preconditioning 0.0000018250634
Iter=18 L=20 resetting norm
SigmaSS, D(norm sigma)= 0.2555498062
FSD , D(norm sigma)= 0.0000421047
WamefSD, D(norm sigma)= 0.0030178815
WmnieSD, D(norm sigma)= -0.0003148331
WmaijDS, D(norm sigma)= 0.0101659294
WabejDS, D(norm sigma)= 0.0022283949
WnmjeDS, D(norm sigma)= -0.0000058098
WbmfeDS, D(norm sigma)= 0.0001000291
Fbe_FDD , D(norm sigma)= 0.6604218883
Fmj_DD, D(norm sigma)= 0.9272919269
WmnijDD, D(norm sigma)= 0.4452832011
WabefDD, D(norm sigma)= 0.2251642133
WmbejDD, D(norm sigma)= -1.0329068668
WmnefDD XAF, D(norm sigma)= 0.0009676551
WmnefDD XLI, D(norm sigma)= 0.0000361809
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3406006875
FSD , D(norm sigma)= -0.0000152843
WamefSD, D(norm sigma)= 0.0025080390
WmnieSD, D(norm sigma)= -0.0044755744
WmaijDS, D(norm sigma)= 0.0230588699
WabejDS, D(norm sigma)= 0.0047693915
WnmjeDS, D(norm sigma)= 0.0001833450
WbmfeDS, D(norm sigma)= 0.0003010807
Fbe_FDD , D(norm sigma)= 0.7078774224
Fmj_DD, D(norm sigma)= 0.7831188671
WmnijDD, D(norm sigma)= 0.3811409743
WabefDD, D(norm sigma)= 0.2096089226
WmbejDD, D(norm sigma)= -0.8895575260
WmnefDD XAF, D(norm sigma)= 0.0009115793
WmnefDD XLI, D(norm sigma)= 0.0000174473
resetting norm
The G Matrix
0 1 2 3 4
0 0.123905035321456 0.003064670029766 -0.000100906869357 0.000470008954764 0.001234159964908
1 0.000000000000000 0.197065131409033 0.001425343473557 0.001844338051883 -0.000322318577907
2 0.000000000000000 -0.000000000000000 0.237243850547695 -0.000249974283725 -0.000649569538034
3 0.000000000000873 0.000000000000022 -0.000000000000001 0.932186537235745 0.194679166797429
4 0.000000000003409 -0.000000000000325 -0.000000000000006 0.197143123800143 0.795964576048000
5 -0.000000000005665 0.000000000001194 -0.000000000000264 -0.028618681658261 -0.110151145242192
6 0.000022829280949 -0.000244880844768 -0.000040739987376 -0.405753731251458 -0.125933488325132
7 -0.000002549999615 -0.000026876560119 -0.000015160770110 -0.052717399688060 0.302068200218964
8 0.000001345383368 -0.000011600234540 -0.000008122010098 0.013757680191850 -0.010167100989009
9 -0.000002253214077 0.000021706572379 0.000003203791383 -0.049116099812965 -0.064546418715713
10 0.000002139655757 -0.000030773857637 -0.000006169413767 0.020233823818677 0.041378416514606
11 0.000000228040668 -0.000001383218048 -0.000000313515730 -0.026356468313288 -0.066780008439007
12 0.000002256252244 -0.000021667768720 -0.000002848227366 -0.069252533758894 0.013275907908703
13 0.000000466047733 0.000006524416475 0.000003585401032 -0.087465532841366 -0.192280515546813
14 -0.000001118430967 0.000016717814207 0.000005227794777 0.018285148506916 0.035182358132474
15 -0.000000704360623 0.000008115163667 0.000001600357997 -0.094134607195803 -0.072416892925838
16 0.000002113703944 -0.000015488995302 -0.000000916554220 -0.085639053358942 0.032065185225831
17 -0.000000709666243 0.000008559064120 0.000001320870668 -0.006960656788406 0.010143994777613
18 0.000001066154337 -0.000012623507407 -0.000002042203885 0.062044834250988 0.102229943808552
19 -0.000000171377463 0.000000543091422 -0.000000633917648 0.086958329607868 0.055521639379357
5 6 7 8 9
0 -0.000152350248274 -0.000280830518641 -0.000825206299535 -0.000968497045448 -0.001518321649403
1 -0.001166100283403 -0.001225927213041 -0.000454146028797 -0.000550883485990 -0.000213807240314
2 0.000811868452216 0.000147017413222 -0.000202167432877 -0.001311198348945 0.000190376839715
3 -0.028746456804777 -0.406950185995697 -0.052156792879804 0.013673617547823 -0.048691592353782
4 -0.109594173368744 -0.126111535558628 0.302710612671863 -0.011159164685525 -0.065112413428157
5 0.837665316618951 0.003799492013916 -0.071349490507686 0.328814911503003 0.049165314846673
6 0.004075712428545 1.411069264071111 -0.114100941034236 0.070359083796352 -0.420142099905386
7 -0.071334012883855 -0.113271349493389 1.204330592575187 -0.077378243368539 0.035831619783920
8 0.328303777638420 0.072007332163199 -0.077562396731618 1.196711708888304 -0.017001145471640
9 0.049729790183119 -0.419408252742264 0.036579009040077 -0.017762298396736 1.360578658233104
10 -0.010837319422186 0.056558526647373 0.404353679257687 -0.060292057152459 0.078889650060456
11 -0.107929319655796 0.053252767377216 -0.070492077928348 0.278242502049582 -0.060739474596821
12 -0.045728808676390 0.116120890777996 -0.024710609331182 -0.003769487146794 0.398988945830509
13 -0.000273335484295 0.083987405329080 -0.199318820194244 -0.033911616264166 0.002025374768381
14 -0.106138325670468 -0.071255635189411 -0.022625834167034 -0.184642893988936 0.016208563350499
15 0.004492421035662 -0.032582041824536 0.003778980769346 -0.036401564798089 0.159334481964683
16 -0.084507330581076 0.133887385166690 -0.168290427480158 -0.015177527013394 -0.029181220695430
17 0.020672819638568 -0.028976033493770 0.025565995865925 0.096131694307146 -0.001697430836968
18 -0.057536043296051 0.018693675172706 0.007951453875736 -0.036666064187382 0.010612658864652
19 0.037545379665954 -0.031611056100867 0.002493733975495 0.069495240271084 -0.079514187362157
10 11 12 13 14
0 0.000817612620754 0.000416177712204 0.000461444093388 -0.000501050540148 0.000204587265950
1 0.000171534289540 0.000038992081878 -0.000224966891516 -0.000070715925367 0.000972697829598
2 0.000130525037637 0.001691991917079 -0.000796743815391 0.001488065791864 0.000028605600090
3 0.019864264796484 -0.027983182763330 -0.070225102134439 -0.086058323440549 0.018079664668263
4 0.040685878919689 -0.067475747755389 0.012008486568454 -0.193518176487462 0.035360455067027
5 -0.008956453587669 -0.107906227412539 -0.046912396108837 0.000535366431457 -0.105102669353368
6 0.056693410292705 0.054331205249671 0.117183710708200 0.083015901464575 -0.072640861931562
7 0.404505032545655 -0.071945583273652 -0.024784127535090 -0.198908741732357 -0.022489178572607
8 -0.060253545740723 0.278845273400868 -0.004463886659153 -0.033923289284864 -0.184507376648018
9 0.078446722486953 -0.059735375341159 0.400475356361721 0.002598364511226 0.016757470779653
10 1.185157080234885 -0.102323097198008 0.067184371467474 0.340666032451736 -0.012437048057104
11 -0.102828559519204 1.228898180010607 0.008311754835111 -0.043607251606353 0.348312698269420
12 0.067639040927182 0.009050756410478 1.242030282660382 0.062655983318901 -0.080873123456358
13 0.340398353320681 -0.044187438517788 0.062918461710037 1.379909848279025 -0.120798457065450
14 -0.011974915415360 0.349691256000605 -0.080105475699262 -0.121675353859703 1.202698516901845
15 0.032611409150342 -0.036598207956204 -0.405253800956382 -0.023314934855022 0.010439731818370
16 -0.222590258677976 0.042131192110415 0.020708723696829 0.375648987392355 0.029811718590668
17 0.020202011755718 0.098270607110843 -0.029380925204719 0.007080560742408 -0.389197283432647
18 -0.071427691511725 -0.014102350212614 0.153872882166977 -0.079287727233917 -0.018189016971002
19 -0.106546468034633 -0.036775753588597 -0.033895362369499 -0.142495618961217 -0.054875960818425
15 16 17 18 19
0 -0.000579140986956 0.001046021046861 0.000256151695529 0.000536492076129 -0.000374978403527
1 0.000315519234485 0.000268369484886 -0.000183399106117 -0.000035074535659 -0.000080356866420
2 0.000875956505669 -0.000674942645338 -0.000846003798662 -0.000274102821642 0.000843063237627
3 -0.094827771297884 -0.085242828911667 -0.006355748714493 0.062182970157880 0.088268621073866
4 -0.071793872612723 0.029910536933648 0.009702114703598 0.101662386230974 0.054464717351606
5 0.004286633235032 -0.083971481568710 0.020451285826031 -0.058979771553522 0.039731170433401
6 -0.031584161739103 0.134283327696989 -0.030604010818963 0.018874137771585 -0.032959947167687
7 0.002331099877036 -0.169412373871566 0.026877046887670 0.007984977759085 0.003763496924771
8 -0.036869740539411 -0.016621635819738 0.096888725690517 -0.036651006109223 0.069817023459835
9 0.159275379287707 -0.029896658617018 -0.002150987269840 0.010808418973521 -0.080163600329774
10 0.033632749136263 -0.222900476708357 0.020187038743981 -0.071604324368384 -0.105551369591344
11 -0.035590480106161 0.042725266320929 0.097581365836091 -0.014246742842492 -0.036993864420716
12 -0.404712226115553 0.021633422297842 -0.029354629052908 0.152931488651919 -0.033999408288776
13 -0.023338003496744 0.375202791847043 0.007444035091289 -0.080682066781719 -0.143275494166324
14 0.009201336810354 0.030477895189400 -0.388700583093663 -0.017912906508481 -0.054859950551926
15 1.299078371966231 -0.118158625242057 -0.008953000102936 0.296582795639298 -0.122574811069199
16 -0.118012450268483 1.267085395007217 0.104425147370973 0.067173972509857 0.353837048756650
17 -0.009387750625816 0.105538625445441 1.225625957404820 -0.032279478379365 -0.131886473813724
18 0.296230178382229 0.067754508696952 -0.031752497603596 1.289085270147324 0.014040073524463
19 -0.123390995328760 0.353886088051157 -0.132188099606797 0.013373834261093 1.242477115487790
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000001593179
Norm of residual vector 0 after precondition 0.0000001593179
1 0.1239050464 -1.71e-10 1.59e-07 Y
Norm of residual vector 1 before precondition 0.0000033566443
Norm of residual vector 1 after precondition 0.0000033566443
2 0.1970650221 -3.36e-09 3.36e-06 N
Norm of residual vector af preconditioning 0.0000021734773
Norm of residual vector 2 before precondition 0.0000011563144
Norm of residual vector 2 after precondition 0.0000011563144
3 0.2372438527 9.55e-10 1.16e-06 N
Norm of residual vector af preconditioning 0.0000007843409
Iter=19 L=22 resetting norm
SigmaSS, D(norm sigma)= 0.2286699376
FSD , D(norm sigma)= 0.0000283366
WamefSD, D(norm sigma)= -0.0028920104
WmnieSD, D(norm sigma)= 0.0070844375
WmaijDS, D(norm sigma)= 0.0100279634
WabejDS, D(norm sigma)= 0.0018112257
WnmjeDS, D(norm sigma)= 0.0000073878
WbmfeDS, D(norm sigma)= 0.0000203891
Fbe_FDD , D(norm sigma)= 0.6874533325
Fmj_DD, D(norm sigma)= 0.9261025517
WmnijDD, D(norm sigma)= 0.4425281983
WabefDD, D(norm sigma)= 0.2204210736
WmbejDD, D(norm sigma)= -1.0331871804
WmnefDD XAF, D(norm sigma)= 0.0007558793
WmnefDD XLI, D(norm sigma)= 0.0000504631
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3233807052
FSD , D(norm sigma)= 0.0000022152
WamefSD, D(norm sigma)= -0.0060573106
WmnieSD, D(norm sigma)= 0.0034787612
WmaijDS, D(norm sigma)= 0.0186820615
WabejDS, D(norm sigma)= 0.0052641776
WnmjeDS, D(norm sigma)= 0.0000981054
WbmfeDS, D(norm sigma)= 0.0001587943
Fbe_FDD , D(norm sigma)= 0.6338014500
Fmj_DD, D(norm sigma)= 0.8652558805
WmnijDD, D(norm sigma)= 0.4079079041
WabefDD, D(norm sigma)= 0.2312254784
WmbejDD, D(norm sigma)= -0.9616138427
WmnefDD XAF, D(norm sigma)= 0.0010345130
WmnefDD XLI, D(norm sigma)= 0.0000202324
resetting norm
The G Matrix
0 1 2 3 4
0 0.123905035321456 0.003064670029766 -0.000100906869357 0.000470008954764 0.001234159964908
1 0.000000000000000 0.197065131409033 0.001425343473557 0.001844338051883 -0.000322318577907
2 0.000000000000000 -0.000000000000000 0.237243850547695 -0.000249974283725 -0.000649569538034
3 0.000000000000873 0.000000000000022 -0.000000000000001 0.932186537235745 0.194679166797429
4 0.000000000003409 -0.000000000000325 -0.000000000000006 0.197143123800143 0.795964576048000
5 -0.000000000005665 0.000000000001194 -0.000000000000264 -0.028618681658261 -0.110151145242192
6 0.000022829280949 -0.000244880844768 -0.000040739987376 -0.405753731251458 -0.125933488325132
7 -0.000002549999615 -0.000026876560119 -0.000015160770110 -0.052717399688060 0.302068200218964
8 0.000001345383368 -0.000011600234540 -0.000008122010098 0.013757680191850 -0.010167100989009
9 -0.000002253214077 0.000021706572379 0.000003203791383 -0.049116099812965 -0.064546418715713
10 0.000002139655757 -0.000030773857637 -0.000006169413767 0.020233823818677 0.041378416514606
11 0.000000228040668 -0.000001383218048 -0.000000313515730 -0.026356468313288 -0.066780008439007
12 0.000002256252244 -0.000021667768720 -0.000002848227366 -0.069252533758894 0.013275907908703
13 0.000000466047733 0.000006524416475 0.000003585401032 -0.087465532841366 -0.192280515546813
14 -0.000001118430967 0.000016717814207 0.000005227794777 0.018285148506916 0.035182358132474
15 -0.000000704360623 0.000008115163667 0.000001600357997 -0.094134607195803 -0.072416892925838
16 0.000002113703944 -0.000015488995302 -0.000000916554220 -0.085639053358942 0.032065185225831
17 -0.000000709666243 0.000008559064120 0.000001320870668 -0.006960656788406 0.010143994777613
18 0.000001066154337 -0.000012623507407 -0.000002042203885 0.062044834250988 0.102229943808552
19 -0.000000171377463 0.000000543091422 -0.000000633917648 0.086958329607868 0.055521639379357
20 0.000000274959732 -0.000000974624209 -0.000000033034956 0.038390133707088 0.034919768056461
21 0.000001138372100 -0.000012587882922 -0.000002278848257 0.098582257746361 0.112666558410489
5 6 7 8 9
0 -0.000152350248274 -0.000280830518641 -0.000825206299535 -0.000968497045448 -0.001518321649403
1 -0.001166100283403 -0.001225927213041 -0.000454146028797 -0.000550883485990 -0.000213807240314
2 0.000811868452216 0.000147017413222 -0.000202167432877 -0.001311198348945 0.000190376839715
3 -0.028746456804777 -0.406950185995697 -0.052156792879804 0.013673617547823 -0.048691592353782
4 -0.109594173368744 -0.126111535558628 0.302710612671863 -0.011159164685525 -0.065112413428157
5 0.837665316618951 0.003799492013916 -0.071349490507686 0.328814911503003 0.049165314846673
6 0.004075712428545 1.411069264071111 -0.114100941034236 0.070359083796352 -0.420142099905386
7 -0.071334012883855 -0.113271349493389 1.204330592575187 -0.077378243368539 0.035831619783920
8 0.328303777638420 0.072007332163199 -0.077562396731618 1.196711708888304 -0.017001145471640
9 0.049729790183119 -0.419408252742264 0.036579009040077 -0.017762298396736 1.360578658233104
10 -0.010837319422186 0.056558526647373 0.404353679257687 -0.060292057152459 0.078889650060456
11 -0.107929319655796 0.053252767377216 -0.070492077928348 0.278242502049582 -0.060739474596821
12 -0.045728808676390 0.116120890777996 -0.024710609331182 -0.003769487146794 0.398988945830509
13 -0.000273335484295 0.083987405329080 -0.199318820194244 -0.033911616264166 0.002025374768381
14 -0.106138325670468 -0.071255635189411 -0.022625834167034 -0.184642893988936 0.016208563350499
15 0.004492421035662 -0.032582041824536 0.003778980769346 -0.036401564798089 0.159334481964683
16 -0.084507330581076 0.133887385166690 -0.168290427480158 -0.015177527013394 -0.029181220695430
17 0.020672819638568 -0.028976033493770 0.025565995865925 0.096131694307146 -0.001697430836968
18 -0.057536043296051 0.018693675172706 0.007951453875736 -0.036666064187382 0.010612658864652
19 0.037545379665954 -0.031611056100867 0.002493733975495 0.069495240271084 -0.079514187362157
20 -0.010967606677582 -0.024017141897063 -0.042698394876954 0.043646242117995 0.038806533484720
21 0.013935584789214 0.015758537104527 -0.012748201757183 0.057253285797846 -0.074448062326736
10 11 12 13 14
0 0.000817612620754 0.000416177712204 0.000461444093388 -0.000501050540148 0.000204587265950
1 0.000171534289540 0.000038992081878 -0.000224966891516 -0.000070715925367 0.000972697829598
2 0.000130525037637 0.001691991917079 -0.000796743815391 0.001488065791864 0.000028605600090
3 0.019864264796484 -0.027983182763330 -0.070225102134439 -0.086058323440549 0.018079664668263
4 0.040685878919689 -0.067475747755389 0.012008486568454 -0.193518176487462 0.035360455067027
5 -0.008956453587669 -0.107906227412539 -0.046912396108837 0.000535366431457 -0.105102669353368
6 0.056693410292705 0.054331205249671 0.117183710708200 0.083015901464575 -0.072640861931562
7 0.404505032545655 -0.071945583273652 -0.024784127535090 -0.198908741732357 -0.022489178572607
8 -0.060253545740723 0.278845273400868 -0.004463886659153 -0.033923289284864 -0.184507376648018
9 0.078446722486953 -0.059735375341159 0.400475356361721 0.002598364511226 0.016757470779653
10 1.185157080234885 -0.102323097198008 0.067184371467474 0.340666032451736 -0.012437048057104
11 -0.102828559519204 1.228898180010607 0.008311754835111 -0.043607251606353 0.348312698269420
12 0.067639040927182 0.009050756410478 1.242030282660382 0.062655983318901 -0.080873123456358
13 0.340398353320681 -0.044187438517788 0.062918461710037 1.379909848279025 -0.120798457065450
14 -0.011974915415360 0.349691256000605 -0.080105475699262 -0.121675353859703 1.202698516901845
15 0.032611409150342 -0.036598207956204 -0.405253800956382 -0.023314934855022 0.010439731818370
16 -0.222590258677976 0.042131192110415 0.020708723696829 0.375648987392355 0.029811718590668
17 0.020202011755718 0.098270607110843 -0.029380925204719 0.007080560742408 -0.389197283432647
18 -0.071427691511725 -0.014102350212614 0.153872882166977 -0.079287727233917 -0.018189016971002
19 -0.106546468034633 -0.036775753588597 -0.033895362369499 -0.142495618961217 -0.054875960818425
20 -0.034945501593949 0.009052521079234 -0.062280175724528 -0.015012941314125 -0.003495034299284
21 -0.039308019678984 0.002922058632861 0.016748003828963 0.106070942226741 0.020912900662964
15 16 17 18 19
0 -0.000579140986956 0.001046021046861 0.000256151695529 0.000536492076129 -0.000374978403527
1 0.000315519234485 0.000268369484886 -0.000183399106117 -0.000035074535659 -0.000080356866420
2 0.000875956505669 -0.000674942645338 -0.000846003798662 -0.000274102821642 0.000843063237627
3 -0.094827771297884 -0.085242828911667 -0.006355748714493 0.062182970157880 0.088268621073866
4 -0.071793872612723 0.029910536933648 0.009702114703598 0.101662386230974 0.054464717351606
5 0.004286633235032 -0.083971481568710 0.020451285826031 -0.058979771553522 0.039731170433401
6 -0.031584161739103 0.134283327696989 -0.030604010818963 0.018874137771585 -0.032959947167687
7 0.002331099877036 -0.169412373871566 0.026877046887670 0.007984977759085 0.003763496924771
8 -0.036869740539411 -0.016621635819738 0.096888725690517 -0.036651006109223 0.069817023459835
9 0.159275379287707 -0.029896658617018 -0.002150987269840 0.010808418973521 -0.080163600329774
10 0.033632749136263 -0.222900476708357 0.020187038743981 -0.071604324368384 -0.105551369591344
11 -0.035590480106161 0.042725266320929 0.097581365836091 -0.014246742842492 -0.036993864420716
12 -0.404712226115553 0.021633422297842 -0.029354629052908 0.152931488651919 -0.033999408288776
13 -0.023338003496744 0.375202791847043 0.007444035091289 -0.080682066781719 -0.143275494166324
14 0.009201336810354 0.030477895189400 -0.388700583093663 -0.017912906508481 -0.054859950551926
15 1.299078371966231 -0.118158625242057 -0.008953000102936 0.296582795639298 -0.122574811069199
16 -0.118012450268483 1.267085395007217 0.104425147370973 0.067173972509857 0.353837048756650
17 -0.009387750625816 0.105538625445441 1.225625957404820 -0.032279478379365 -0.131886473813724
18 0.296230178382229 0.067754508696952 -0.031752497603596 1.289085270147324 0.014040073524463
19 -0.123390995328760 0.353886088051157 -0.132188099606797 0.013373834261093 1.242477115487790
20 0.135940220732922 0.011988135825079 0.002663022739746 -0.317236428975159 0.104443458225595
21 -0.050032228609912 0.200369640544715 -0.041089234070942 0.038511159290634 -0.301676169814600
20 21
0 0.001490260872004 -0.000315543182847
1 -0.000168377673203 0.000585010183091
2 0.000661980475357 -0.000575801483649
3 0.039165893457404 0.097507675732256
4 0.035235075519182 0.112177290580013
5 -0.010478490669376 0.014166858750166
6 -0.024593405323606 0.015116428636759
7 -0.042588214161068 -0.012150508220001
8 0.041978093454490 0.058278632885596
9 0.038344153343589 -0.074911161230946
10 -0.034306603443333 -0.037658020985299
11 0.010360724952686 0.003367804374993
12 -0.061721057905681 0.016403607268500
13 -0.015437116335889 0.104771498694674
14 -0.004359152232513 0.021618069059769
15 0.135414493538573 -0.049801548415791
16 0.012228004947299 0.200432740461060
17 0.001706819361698 -0.042797858497991
18 -0.317589236874121 0.037836039852735
19 0.103905334480795 -0.302010745297002
20 1.257051403889709 -0.001900158418119
21 -0.002928416540055 1.309719313059770
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000000769284
Norm of residual vector 0 after precondition 0.0000000769284
1 0.1239050462 -2.88e-10 7.69e-08 Y
Norm of residual vector 1 before precondition 0.0000013599401
Norm of residual vector 1 after precondition 0.0000013599401
2 0.1970650205 -1.53e-09 1.36e-06 N
Norm of residual vector af preconditioning 0.0000008690551
Norm of residual vector 2 before precondition 0.0000004926990
Norm of residual vector 2 after precondition 0.0000004926990
3 0.2372438534 6.61e-10 4.93e-07 Y
Iter=20 L=23 resetting norm
SigmaSS, D(norm sigma)= 0.2809207197
FSD , D(norm sigma)= 0.0000265641
WamefSD, D(norm sigma)= 0.0078995011
WmnieSD, D(norm sigma)= 0.0022194970
WmaijDS, D(norm sigma)= 0.0118045972
WabejDS, D(norm sigma)= 0.0005240390
WnmjeDS, D(norm sigma)= -0.0000150817
WbmfeDS, D(norm sigma)= -0.0000717568
Fbe_FDD , D(norm sigma)= 0.6876263574
Fmj_DD, D(norm sigma)= 0.8884960581
WmnijDD, D(norm sigma)= 0.4294012371
WabefDD, D(norm sigma)= 0.2134149997
WmbejDD, D(norm sigma)= -1.0165721334
WmnefDD XAF, D(norm sigma)= 0.0009342156
WmnefDD XLI, D(norm sigma)= 0.0000238818
resetting norm
The G Matrix
0 1 2 3 4
0 0.123905035321456 0.003064670029766 -0.000100906869357 0.000470008954764 0.001234159964908
1 0.000000000000000 0.197065131409033 0.001425343473557 0.001844338051883 -0.000322318577907
2 0.000000000000000 -0.000000000000000 0.237243850547695 -0.000249974283725 -0.000649569538034
3 0.000000000000873 0.000000000000022 -0.000000000000001 0.932186537235745 0.194679166797429
4 0.000000000003409 -0.000000000000325 -0.000000000000006 0.197143123800143 0.795964576048000
5 -0.000000000005665 0.000000000001194 -0.000000000000264 -0.028618681658261 -0.110151145242192
6 0.000022829280949 -0.000244880844768 -0.000040739987376 -0.405753731251458 -0.125933488325132
7 -0.000002549999615 -0.000026876560119 -0.000015160770110 -0.052717399688060 0.302068200218964
8 0.000001345383368 -0.000011600234540 -0.000008122010098 0.013757680191850 -0.010167100989009
9 -0.000002253214077 0.000021706572379 0.000003203791383 -0.049116099812965 -0.064546418715713
10 0.000002139655757 -0.000030773857637 -0.000006169413767 0.020233823818677 0.041378416514606
11 0.000000228040668 -0.000001383218048 -0.000000313515730 -0.026356468313288 -0.066780008439007
12 0.000002256252244 -0.000021667768720 -0.000002848227366 -0.069252533758894 0.013275907908703
13 0.000000466047733 0.000006524416475 0.000003585401032 -0.087465532841366 -0.192280515546813
14 -0.000001118430967 0.000016717814207 0.000005227794777 0.018285148506916 0.035182358132474
15 -0.000000704360623 0.000008115163667 0.000001600357997 -0.094134607195803 -0.072416892925838
16 0.000002113703944 -0.000015488995302 -0.000000916554220 -0.085639053358942 0.032065185225831
17 -0.000000709666243 0.000008559064120 0.000001320870668 -0.006960656788406 0.010143994777613
18 0.000001066154337 -0.000012623507407 -0.000002042203885 0.062044834250988 0.102229943808552
19 -0.000000171377463 0.000000543091422 -0.000000633917648 0.086958329607868 0.055521639379357
20 0.000000274959732 -0.000000974624209 -0.000000033034956 0.038390133707088 0.034919768056461
21 0.000001138372100 -0.000012587882922 -0.000002278848257 0.098582257746361 0.112666558410489
22 -0.000000627679136 0.000010146361611 0.000002536154573 0.023438750194611 -0.023511739858963
5 6 7 8 9
0 -0.000152350248274 -0.000280830518641 -0.000825206299535 -0.000968497045448 -0.001518321649403
1 -0.001166100283403 -0.001225927213041 -0.000454146028797 -0.000550883485990 -0.000213807240314
2 0.000811868452216 0.000147017413222 -0.000202167432877 -0.001311198348945 0.000190376839715
3 -0.028746456804777 -0.406950185995697 -0.052156792879804 0.013673617547823 -0.048691592353782
4 -0.109594173368744 -0.126111535558628 0.302710612671863 -0.011159164685525 -0.065112413428157
5 0.837665316618951 0.003799492013916 -0.071349490507686 0.328814911503003 0.049165314846673
6 0.004075712428545 1.411069264071111 -0.114100941034236 0.070359083796352 -0.420142099905386
7 -0.071334012883855 -0.113271349493389 1.204330592575187 -0.077378243368539 0.035831619783920
8 0.328303777638420 0.072007332163199 -0.077562396731618 1.196711708888304 -0.017001145471640
9 0.049729790183119 -0.419408252742264 0.036579009040077 -0.017762298396736 1.360578658233104
10 -0.010837319422186 0.056558526647373 0.404353679257687 -0.060292057152459 0.078889650060456
11 -0.107929319655796 0.053252767377216 -0.070492077928348 0.278242502049582 -0.060739474596821
12 -0.045728808676390 0.116120890777996 -0.024710609331182 -0.003769487146794 0.398988945830509
13 -0.000273335484295 0.083987405329080 -0.199318820194244 -0.033911616264166 0.002025374768381
14 -0.106138325670468 -0.071255635189411 -0.022625834167034 -0.184642893988936 0.016208563350499
15 0.004492421035662 -0.032582041824536 0.003778980769346 -0.036401564798089 0.159334481964683
16 -0.084507330581076 0.133887385166690 -0.168290427480158 -0.015177527013394 -0.029181220695430
17 0.020672819638568 -0.028976033493770 0.025565995865925 0.096131694307146 -0.001697430836968
18 -0.057536043296051 0.018693675172706 0.007951453875736 -0.036666064187382 0.010612658864652
19 0.037545379665954 -0.031611056100867 0.002493733975495 0.069495240271084 -0.079514187362157
20 -0.010967606677582 -0.024017141897063 -0.042698394876954 0.043646242117995 0.038806533484720
21 0.013935584789214 0.015758537104527 -0.012748201757183 0.057253285797846 -0.074448062326736
22 0.015029853531453 -0.042274795776361 -0.036219418588785 -0.007361914123638 0.004996079447710
10 11 12 13 14
0 0.000817612620754 0.000416177712204 0.000461444093388 -0.000501050540148 0.000204587265950
1 0.000171534289540 0.000038992081878 -0.000224966891516 -0.000070715925367 0.000972697829598
2 0.000130525037637 0.001691991917079 -0.000796743815391 0.001488065791864 0.000028605600090
3 0.019864264796484 -0.027983182763330 -0.070225102134439 -0.086058323440549 0.018079664668263
4 0.040685878919689 -0.067475747755389 0.012008486568454 -0.193518176487462 0.035360455067027
5 -0.008956453587669 -0.107906227412539 -0.046912396108837 0.000535366431457 -0.105102669353368
6 0.056693410292705 0.054331205249671 0.117183710708200 0.083015901464575 -0.072640861931562
7 0.404505032545655 -0.071945583273652 -0.024784127535090 -0.198908741732357 -0.022489178572607
8 -0.060253545740723 0.278845273400868 -0.004463886659153 -0.033923289284864 -0.184507376648018
9 0.078446722486953 -0.059735375341159 0.400475356361721 0.002598364511226 0.016757470779653
10 1.185157080234885 -0.102323097198008 0.067184371467474 0.340666032451736 -0.012437048057104
11 -0.102828559519204 1.228898180010607 0.008311754835111 -0.043607251606353 0.348312698269420
12 0.067639040927182 0.009050756410478 1.242030282660382 0.062655983318901 -0.080873123456358
13 0.340398353320681 -0.044187438517788 0.062918461710037 1.379909848279025 -0.120798457065450
14 -0.011974915415360 0.349691256000605 -0.080105475699262 -0.121675353859703 1.202698516901845
15 0.032611409150342 -0.036598207956204 -0.405253800956382 -0.023314934855022 0.010439731818370
16 -0.222590258677976 0.042131192110415 0.020708723696829 0.375648987392355 0.029811718590668
17 0.020202011755718 0.098270607110843 -0.029380925204719 0.007080560742408 -0.389197283432647
18 -0.071427691511725 -0.014102350212614 0.153872882166977 -0.079287727233917 -0.018189016971002
19 -0.106546468034633 -0.036775753588597 -0.033895362369499 -0.142495618961217 -0.054875960818425
20 -0.034945501593949 0.009052521079234 -0.062280175724528 -0.015012941314125 -0.003495034299284
21 -0.039308019678984 0.002922058632861 0.016748003828963 0.106070942226741 0.020912900662964
22 0.046807320856079 -0.033404516605643 -0.034793331039691 0.048619568549711 -0.024566888740674
15 16 17 18 19
0 -0.000579140986956 0.001046021046861 0.000256151695529 0.000536492076129 -0.000374978403527
1 0.000315519234485 0.000268369484886 -0.000183399106117 -0.000035074535659 -0.000080356866420
2 0.000875956505669 -0.000674942645338 -0.000846003798662 -0.000274102821642 0.000843063237627
3 -0.094827771297884 -0.085242828911667 -0.006355748714493 0.062182970157880 0.088268621073866
4 -0.071793872612723 0.029910536933648 0.009702114703598 0.101662386230974 0.054464717351606
5 0.004286633235032 -0.083971481568710 0.020451285826031 -0.058979771553522 0.039731170433401
6 -0.031584161739103 0.134283327696989 -0.030604010818963 0.018874137771585 -0.032959947167687
7 0.002331099877036 -0.169412373871566 0.026877046887670 0.007984977759085 0.003763496924771
8 -0.036869740539411 -0.016621635819738 0.096888725690517 -0.036651006109223 0.069817023459835
9 0.159275379287707 -0.029896658617018 -0.002150987269840 0.010808418973521 -0.080163600329774
10 0.033632749136263 -0.222900476708357 0.020187038743981 -0.071604324368384 -0.105551369591344
11 -0.035590480106161 0.042725266320929 0.097581365836091 -0.014246742842492 -0.036993864420716
12 -0.404712226115553 0.021633422297842 -0.029354629052908 0.152931488651919 -0.033999408288776
13 -0.023338003496744 0.375202791847043 0.007444035091289 -0.080682066781719 -0.143275494166324
14 0.009201336810354 0.030477895189400 -0.388700583093663 -0.017912906508481 -0.054859950551926
15 1.299078371966231 -0.118158625242057 -0.008953000102936 0.296582795639298 -0.122574811069199
16 -0.118012450268483 1.267085395007217 0.104425147370973 0.067173972509857 0.353837048756650
17 -0.009387750625816 0.105538625445441 1.225625957404820 -0.032279478379365 -0.131886473813724
18 0.296230178382229 0.067754508696952 -0.031752497603596 1.289085270147324 0.014040073524463
19 -0.123390995328760 0.353886088051157 -0.132188099606797 0.013373834261093 1.242477115487790
20 0.135940220732922 0.011988135825079 0.002663022739746 -0.317236428975159 0.104443458225595
21 -0.050032228609912 0.200369640544715 -0.041089234070942 0.038511159290634 -0.301676169814600
22 -0.064854525264994 -0.012050759178585 -0.000601977637147 -0.151551709025610 0.030500636190574
20 21 22
0 0.001490260872004 -0.000315543182847 0.000016104464423
1 -0.000168377673203 0.000585010183091 -0.001164869839958
2 0.000661980475357 -0.000575801483649 -0.001642800697949
3 0.039165893457404 0.097507675732256 0.022638316074667
4 0.035235075519182 0.112177290580013 -0.024751963574285
5 -0.010478490669376 0.014166858750166 0.015365478911897
6 -0.024593405323606 0.015116428636759 -0.042128742374259
7 -0.042588214161068 -0.012150508220001 -0.035656527347837
8 0.041978093454490 0.058278632885596 -0.007152509656234
9 0.038344153343589 -0.074911161230946 0.006080607950075
10 -0.034306603443333 -0.037658020985299 0.046816400467778
11 0.010360724952686 0.003367804374993 -0.034509467676254
12 -0.061721057905681 0.016403607268500 -0.034571920956932
13 -0.015437116335889 0.104771498694674 0.049977002682288
14 -0.004359152232513 0.021618069059769 -0.023874167344468
15 0.135414493538573 -0.049801548415791 -0.064768199991785
16 0.012228004947299 0.200432740461060 -0.013225300084128
17 0.001706819361698 -0.042797858497991 -0.000646934866067
18 -0.317589236874121 0.037836039852735 -0.151067711110403
19 0.103905334480795 -0.302010745297002 0.029796878713622
20 1.257051403889709 -0.001900158418119 -0.347361419867133
21 -0.002928416540055 1.309719313059770 0.048152309399550
22 -0.347413490496150 0.047879333679147 1.227289562737262
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000000600811
Norm of residual vector 0 after precondition 0.0000000600811
1 0.1239050461 -4.28e-11 6.01e-08 Y
Norm of residual vector 1 before precondition 0.0000005791435
Norm of residual vector 1 after precondition 0.0000005791435
2 0.1970650185 -2.04e-09 5.79e-07 Y
Norm of residual vector 2 before precondition 0.0000002794989
Norm of residual vector 2 after precondition 0.0000002794989
3 0.2372438525 -8.69e-10 2.79e-07 Y
Completed EOM_CCSD
Collapsing to only 3 vector(s).
alpha
1 2 3 4 5 6 7 8 9 10
1 1.0000000 0.0418488 0.0000677 -0.0068746 -0.0006183 -0.0006431 0.0009269 -0.0019411 -0.0015924 -0.0013061
2 -0.0000001 0.9991239 0.0354524 0.0007689 0.0041536 0.0006704 0.0008535 0.0025952 0.0013953 -0.0006810
3 0.0000000 -0.0000020 0.9993714 0.0005173 -0.0049473 -0.0028334 -0.0072977 -0.0010016 0.0033972 0.0007445
4 -0.0000120 0.0001913 0.0000526 0.0991703 0.2337590 0.3494577 -0.3795838 0.2881813 -0.0238118 -0.2318216
5 -0.0000018 -0.0000230 -0.0000190 -0.0854421 -0.3684947 -0.4915495 -0.1841890 0.1375727 -0.5762489 0.0235329
6 -0.0000001 0.0000042 -0.0000059 -0.2064000 -0.0978546 -0.0726254 -0.4534521 -0.4178422 -0.0383001 -0.4410253
7 -0.0000247 0.0003215 0.0000764 0.2015409 -0.1265114 0.1928509 -0.2461808 0.2712534 -0.0860347 -0.2187551
8 0.0000001 0.0000906 0.0000419 0.2159621 0.2090698 0.2956461 -0.2198638 -0.2059205 0.0221950 0.2469846
9 0.0000005 -0.0000105 0.0000084 0.1446556 0.1836399 0.0750439 0.3702275 0.1894486 -0.2671003 0.1561223
10 -0.0000083 0.0001266 0.0000331 0.1474085 -0.3416775 0.1895408 -0.0924789 0.3191917 0.0049330 -0.0938839
11 -0.0000001 -0.0000383 -0.0000199 -0.3754992 -0.0522964 -0.0445467 0.2950167 0.1486198 0.1868177 -0.3430979
12 -0.0000000 0.0000023 -0.0000042 -0.2187946 -0.1919579 -0.0483586 -0.3165183 -0.0566166 0.2627324 0.1961234
13 0.0000033 -0.0000578 -0.0000161 -0.0459002 0.4648535 -0.2599975 -0.0803223 -0.2040075 -0.0280791 0.0096029
14 0.0000001 0.0000130 0.0000080 0.3701579 -0.1013811 -0.1022381 -0.1899708 -0.1407894 -0.1458857 0.2307044
15 0.0000001 -0.0000016 0.0000025 0.3268534 0.1547002 -0.0377513 0.1910283 -0.1283513 -0.2493382 -0.4549494
16 0.0000013 -0.0000259 -0.0000080 -0.0279479 0.3856812 -0.2863430 -0.1763095 0.0749849 -0.0082827 0.0180673
17 -0.0000000 -0.0000066 -0.0000045 -0.4278873 0.2283383 0.2320043 0.0295134 0.0932851 -0.1687072 -0.0976140
18 0.0000000 -0.0000000 0.0000014 0.2778322 0.0397543 -0.0991270 0.0975714 -0.1031278 -0.0160009 -0.4122180
19 -0.0000004 0.0000107 0.0000038 0.0264556 -0.2620146 0.2568503 0.1844666 -0.3226004 -0.0192502 -0.0371478
20 0.0000002 -0.0000011 0.0000008 0.3034989 -0.0879603 -0.2765414 0.0029231 0.0014510 0.4032094 -0.0867476
21 -0.0000002 0.0000042 0.0000015 -0.0338498 -0.1242611 0.2309579 0.1187200 -0.3937050 -0.1122213 0.0008862
22 0.0000000 -0.0000003 0.0000003 0.1417295 -0.0596964 -0.1360647 0.0577519 0.0018215 0.4107692 -0.0570551
23 -0.0000000 0.0000015 0.0000006 -0.0192734 -0.0449947 0.1451668 0.0505720 -0.2870847 -0.1593608 0.0271893
11 12 13 14 15 16 17 18 19 20
1 0.0015472 -0.0008743 0.0007420 -0.0000196 -0.0008959 0.0000860 -0.0004810 -0.0004220 0.0002834 -0.0002004
2 0.0000853 -0.0014209 0.0004372 -0.0000246 -0.0004943 0.0006957 -0.0004653 -0.0005204 -0.0005128 -0.0005944
3 -0.0007368 -0.0012098 -0.0001348 0.0007012 0.0002515 -0.0008608 -0.0002429 -0.0009402 -0.0010838 0.0000213
4 0.3279819 -0.4179532 -0.0810233 -0.0105446 -0.0959118 0.3405800 -0.1111302 -0.0266740 0.0779767 0.0306133
5 0.1267254 0.0797835 -0.0421831 0.0700915 -0.3283455 0.1153371 -0.1243755 0.0258270 0.2138742 -0.0584500
6 -0.3222330 0.0082331 -0.4010488 -0.0586052 0.1263421 0.0526401 0.1355814 0.0948821 -0.0217338 0.2477910
7 0.2233278 0.1903149 -0.0634453 -0.1084428 -0.0835860 -0.4028553 0.1254276 0.0873406 0.1596127 -0.1250926
8 -0.2412360 0.3137966 -0.0686842 0.3171480 -0.3048773 -0.0805436 -0.0830215 -0.0577632 0.3430689 -0.0133031
9 -0.0237624 -0.0204953 -0.4981891 0.2570355 -0.0643641 0.1085767 0.3936728 0.1700874 0.0077842 0.3486100
10 -0.0296240 0.3372877 -0.0340086 0.0534036 0.1017071 -0.1827395 0.1388771 0.0162309 -0.4021556 0.0934548
11 0.1703624 -0.1551209 -0.2058221 0.3438636 -0.0571523 -0.0897082 -0.0509484 -0.2455324 0.1332488 -0.0096559
12 0.1518534 -0.0610315 0.1812144 0.5353961 -0.0723623 -0.0012296 0.4829761 -0.0916595 -0.0847124 -0.1336165
13 0.2656172 -0.0485524 -0.0112805 -0.1359054 -0.1950729 -0.3687784 0.2554256 0.1051245 0.0612211 -0.0851460
14 -0.0475466 -0.3207931 -0.0948482 0.2244094 0.0843454 0.1279526 -0.2250900 -0.2641250 -0.2843499 -0.0338696
15 -0.1376917 0.0318193 -0.0186285 0.1742305 0.0795227 -0.0715395 0.1549975 -0.3476179 -0.0905891 -0.5049503
16 0.2480596 0.2253132 -0.0971574 0.1492338 0.1088606 -0.0052691 -0.1625570 0.1904103 -0.5295721 -0.0112136
17 -0.1691828 0.2926089 0.0571881 0.2505394 -0.1646547 0.1067784 -0.3905729 0.0015328 -0.1352774 -0.0782788
18 0.0096305 0.0463248 0.5862293 0.2276758 -0.1828085 0.1933552 0.0648569 0.2445495 0.0048821 0.4011574
19 0.1131000 -0.2516283 -0.1271136 0.1348151 -0.2047191 -0.0849099 -0.1359649 0.6247257 -0.1717076 -0.3339672
20 0.1430522 0.0749424 -0.2399204 0.2583366 0.1056411 -0.1896679 -0.4078434 0.0367220 0.2292651 0.1794277
21 0.4010357 0.0731044 -0.0335860 -0.1380633 -0.3207276 -0.1545523 -0.0774409 -0.4322273 -0.2559805 0.3598757
22 0.0544283 0.3073080 -0.2382247 -0.2456663 -0.4309545 0.5153951 0.0806911 -0.0412651 -0.1017994 -0.2390691
23 0.4815262 0.3587389 -0.0088161 0.0706997 0.5277973 0.3269771 0.0246035 0.0538843 0.2613333 -0.0962593
21 22 23
1 -0.0001372 -0.0003399 0.0001742
2 -0.0003849 -0.0003999 -0.0004532
3 0.0004618 -0.0003915 0.0000960
4 -0.1827649 -0.0966761 -0.1956355
5 -0.0561404 -0.0505859 -0.1721547
6 0.0229995 0.0103743 0.0431656
7 0.3653707 0.0140089 0.4963611
8 0.1870231 0.1474259 -0.3439551
9 -0.0302842 -0.1053664 0.1566440
10 -0.3881234 0.3122323 -0.3220823
11 0.2736911 0.4308478 -0.1520377
12 -0.0764262 -0.2504430 0.1274587
13 -0.4220993 0.3705715 0.0445408
14 0.0419587 0.4534359 0.3549137
15 -0.0939289 -0.2639672 -0.0979377
16 0.4051573 -0.1272624 -0.1992597
17 -0.3133608 -0.0179186 0.4271034
18 0.0782872 0.1384823 0.0768439
19 -0.0123135 -0.0066119 -0.0787412
20 -0.3180823 -0.2782435 0.0891677
21 0.0256074 -0.2118479 -0.0182326
22 -0.0049713 0.1123108 0.1298101
23 -0.0538720 0.1608010 0.0317915
alpha_old
1 2 3 4 5 6 7 8 9 10
1 1.0000000 0.0418488 0.0000677 -0.0067977 -0.0005924 -0.0012356 0.0004894 -0.0004329 -0.0018408 -0.0011875
2 -0.0000001 0.9991239 0.0354524 0.0005930 0.0039960 0.0009683 0.0013530 0.0008089 0.0015524 -0.0008067
3 0.0000000 -0.0000021 0.9993714 0.0002934 -0.0055439 0.0002032 -0.0069856 -0.0031114 0.0016096 0.0007307
4 -0.0000120 0.0001913 0.0000526 0.0996510 0.2624787 0.4186932 -0.2890344 0.2608866 0.1373013 -0.2603458
5 -0.0000018 -0.0000230 -0.0000190 -0.0904249 -0.4232984 -0.4090118 -0.2680842 0.4872906 -0.3189252 0.0381007
6 -0.0000001 0.0000041 -0.0000060 -0.2060623 -0.1073008 -0.0004865 -0.4738305 -0.3611581 -0.3555714 -0.3933690
7 -0.0000247 0.0003214 0.0000763 0.2037786 -0.1082452 0.2717372 -0.1820833 0.2866076 0.0861017 -0.2426517
8 0.0000001 0.0000905 0.0000419 0.2202177 0.2433147 0.2827391 -0.1786649 -0.2072011 -0.1092496 0.2711742
9 0.0000005 -0.0000105 0.0000084 0.1452133 0.1953019 -0.0168329 0.3724378 0.2928976 -0.1233205 0.1645365
10 -0.0000083 0.0001266 0.0000331 0.1502675 -0.3230128 0.2830784 -0.0129714 0.2434894 0.1349977 -0.1131657
11 -0.0000001 -0.0000383 -0.0000199 -0.3766716 -0.0591983 -0.0648625 0.2987935 0.0129751 0.1988141 -0.3697669
12 -0.0000000 0.0000023 -0.0000042 -0.2189645 -0.2012361 0.0426935 -0.3081351 -0.1579548 0.2581601 0.1712007
13 0.0000033 -0.0000578 -0.0000161 -0.0516209 0.4345794 -0.3315531 -0.1725582 -0.0856129 -0.0179465 0.0037669
14 0.0000001 0.0000131 0.0000080 0.3696792 -0.1099022 -0.0747383 -0.2161133 -0.0287992 -0.1688256 0.2524566
15 0.0000002 -0.0000016 0.0000025 0.3272249 0.1570402 -0.1223225 0.1547443 0.0050859 -0.3518782 -0.4212533
16 0.0000013 -0.0000257 -0.0000079 -0.0363440 0.3463639 -0.2956864 -0.2464794 0.1513893 0.1636737 -0.0129468
17 -0.0000000 -0.0000067 -0.0000046 -0.4260544 0.2498639 0.2089691 0.0744625 0.1341281 -0.1552374 -0.0814099
18 0.0000000 -0.0000000 0.0000014 0.2769855 0.0328298 -0.1392220 0.0627891 -0.0789839 -0.1037974 -0.4051637
19 -0.0000004 0.0000103 0.0000036 0.0384229 -0.2176299 0.1964302 0.2103645 -0.2892857 -0.2121692 -0.0099718
20 0.0000002 -0.0000008 0.0000009 0.2980324 -0.1200865 -0.2528691 -0.0433423 -0.1753909 0.3918220 -0.1288007
21 -0.0000001 0.0000035 0.0000012 -0.0202303 -0.0793187 0.1349760 0.1160375 -0.2406859 -0.2176382 0.0168138
22 0.0000000 -0.0000002 0.0000004 0.1385367 -0.0762314 -0.1243783 0.0397813 -0.2026320 0.3658277 -0.0925632
11 12 13 14 15 16 17 18 19 20
1 -0.0020397 -0.0008391 -0.0003449 -0.0001617 -0.0004838 0.0004716 0.0003436 0.0004670 0.0002044 -0.0001327
2 -0.0009630 -0.0002238 0.0007694 0.0000603 -0.0007761 0.0005001 0.0005825 -0.0004060 0.0006612 -0.0003846
3 -0.0005660 0.0003038 0.0005759 -0.0006742 0.0010653 0.0002112 0.0009384 -0.0006664 0.0001446 0.0003876
4 -0.4437913 0.1423689 0.2083975 0.0379421 -0.3468658 0.1275602 0.0481232 0.0058641 -0.0474686 -0.1725881
5 -0.0888613 -0.0129265 -0.2099984 -0.1246915 -0.2802416 0.1238454 -0.0526164 0.2263346 0.0422960 -0.0483538
6 0.2229172 0.4197361 0.0371530 0.0900989 0.0105333 -0.1301114 -0.0730422 -0.0923809 -0.2527619 0.0173446
7 -0.0610713 -0.0205973 -0.3174680 0.0490979 0.2689519 -0.1503338 -0.1467795 0.2574059 0.1189882 0.3635173
8 0.2990046 0.0029644 -0.2403229 -0.3738210 -0.1169045 0.0712117 -0.0008609 0.4009849 -0.0097822 0.1890934
9 0.0065643 0.4948295 -0.0505404 -0.2544122 -0.1414502 -0.3857629 -0.1435099 -0.0874811 -0.3560440 -0.0367816
10 0.2528969 -0.0240568 -0.2064890 -0.0771184 0.2585768 -0.1430287 0.0092977 -0.3432789 -0.0283120 -0.4144799
11 -0.1721579 0.2307367 0.0759761 -0.3371433 0.0349951 0.0442906 0.2132420 0.2031076 0.0080384 0.2639013
12 -0.1303068 -0.1584769 0.1073358 -0.5363478 -0.0397775 -0.4791581 0.1082467 -0.0830319 0.1363118 -0.0683284
13 -0.2842685 -0.0459691 -0.2239956 0.0763482 0.1614435 -0.2793498 -0.1618309 0.2025796 0.1240826 -0.4377860
14 -0.1646253 0.1724327 0.2759369 -0.1795866 -0.0172257 0.2351647 0.2945185 -0.2427324 0.0726679 0.0220436
15 0.1047309 0.0313648 0.0511382 -0.1618600 0.1106684 -0.1550319 0.3469343 -0.0127414 0.5077371 -0.0725755
16 -0.0225832 0.0353892 -0.2265112 -0.1774183 0.1747842 0.1684661 -0.1298948 -0.5547157 0.0459083 0.3913712
17 0.2735374 -0.1051745 -0.1627367 -0.2873288 -0.1202553 0.3934415 0.0035393 -0.0979928 0.1051895 -0.3176313
18 0.0107053 -0.5766750 0.0884220 -0.2436832 -0.2545305 -0.0561742 -0.2224839 -0.0830828 -0.4019561 0.0621295
19 -0.3452193 0.1196253 -0.0499282 -0.1680006 -0.0362893 0.1256985 -0.6297274 -0.1433171 0.3581995 -0.0118865
20 0.0117229 0.2329812 -0.0365051 -0.2514504 0.2248401 0.3941405 -0.0786152 0.2414346 -0.1949322 -0.3109135
21 -0.4505447 -0.1153901 -0.5679944 0.0069882 0.0773747 0.0708173 0.4251999 -0.1268565 -0.3056050 -0.0086049
22 0.1583465 0.1398535 -0.3861100 0.1775893 -0.6473757 -0.0556544 0.0833857 -0.1423321 0.2422504 0.0006922
21 22
1 0.0003115 0.0001836
2 0.0003522 -0.0004357
3 0.0001963 0.0001296
4 0.1184634 -0.1962684
5 0.0583554 -0.1715122
6 -0.0107322 0.0425970
7 -0.0406297 0.4985552
8 -0.1452637 -0.3454339
9 0.0995638 0.1583573
10 -0.3253730 -0.3246096
11 -0.4355917 -0.1577848
12 0.2497744 0.1312153
13 -0.3815635 0.0413427
14 -0.4705284 0.3493719
15 0.2784572 -0.0951702
16 0.0938812 -0.1938682
17 0.0095144 0.4280469
18 -0.1516907 0.0759261
19 -0.0080681 -0.0757750
20 0.2902700 0.0917404
21 0.1409545 -0.0057385
22 -0.1056176 0.1273246
alpha_tot
1 2 3 4 5 6 7 8 9 10
1 1.0000000 0.0418488 0.0000677 -0.0068746 -0.0006183 -0.0006431 0.0009269 -0.0019411 -0.0015924 -0.0013061
2 -0.0000001 0.9991239 0.0354524 0.0007689 0.0041536 0.0006704 0.0008535 0.0025952 0.0013953 -0.0006810
3 0.0000000 -0.0000020 0.9993714 0.0005173 -0.0049473 -0.0028334 -0.0072977 -0.0010016 0.0033972 0.0007445
4 -0.0000120 0.0001913 0.0000526 0.0991703 0.2337590 0.3494577 -0.3795838 0.2881813 -0.0238118 -0.2318216
5 -0.0000018 -0.0000230 -0.0000190 -0.0854421 -0.3684947 -0.4915495 -0.1841890 0.1375727 -0.5762489 0.0235329
6 -0.0000001 0.0000042 -0.0000059 -0.2064000 -0.0978546 -0.0726254 -0.4534521 -0.4178422 -0.0383001 -0.4410253
7 -0.0000247 0.0003215 0.0000764 0.2015409 -0.1265114 0.1928509 -0.2461808 0.2712534 -0.0860347 -0.2187551
8 0.0000001 0.0000906 0.0000419 0.2159621 0.2090698 0.2956461 -0.2198638 -0.2059205 0.0221950 0.2469846
9 0.0000005 -0.0000105 0.0000084 0.1446556 0.1836399 0.0750439 0.3702275 0.1894486 -0.2671003 0.1561223
10 -0.0000083 0.0001266 0.0000331 0.1474085 -0.3416775 0.1895408 -0.0924789 0.3191917 0.0049330 -0.0938839
11 -0.0000001 -0.0000383 -0.0000199 -0.3754992 -0.0522964 -0.0445467 0.2950167 0.1486198 0.1868177 -0.3430979
12 -0.0000000 0.0000023 -0.0000042 -0.2187946 -0.1919579 -0.0483586 -0.3165183 -0.0566166 0.2627324 0.1961234
13 0.0000033 -0.0000578 -0.0000161 -0.0459002 0.4648535 -0.2599975 -0.0803223 -0.2040075 -0.0280791 0.0096029
14 0.0000001 0.0000130 0.0000080 0.3701579 -0.1013811 -0.1022381 -0.1899708 -0.1407894 -0.1458857 0.2307044
15 0.0000001 -0.0000016 0.0000025 0.3268534 0.1547002 -0.0377513 0.1910283 -0.1283513 -0.2493382 -0.4549494
16 0.0000013 -0.0000259 -0.0000080 -0.0279479 0.3856812 -0.2863430 -0.1763095 0.0749849 -0.0082827 0.0180673
17 -0.0000000 -0.0000066 -0.0000045 -0.4278873 0.2283383 0.2320043 0.0295134 0.0932851 -0.1687072 -0.0976140
18 0.0000000 -0.0000000 0.0000014 0.2778322 0.0397543 -0.0991270 0.0975714 -0.1031278 -0.0160009 -0.4122180
19 -0.0000004 0.0000107 0.0000038 0.0264556 -0.2620146 0.2568503 0.1844666 -0.3226004 -0.0192502 -0.0371478
20 0.0000002 -0.0000011 0.0000008 0.3034989 -0.0879603 -0.2765414 0.0029231 0.0014510 0.4032094 -0.0867476
21 -0.0000002 0.0000042 0.0000015 -0.0338498 -0.1242611 0.2309579 0.1187200 -0.3937050 -0.1122213 0.0008862
22 0.0000000 -0.0000003 0.0000003 0.1417295 -0.0596964 -0.1360647 0.0577519 0.0018215 0.4107692 -0.0570551
23 -0.0000000 0.0000015 0.0000006 -0.0192734 -0.0449947 0.1451668 0.0505720 -0.2870847 -0.1593608 0.0271893
11 12 13 14 15 16 17 18 19 20
1 0.0015472 -0.0008743 0.0007420 -0.0000196 -0.0008959 0.0000860 -0.0004810 -0.0004220 0.0002834 -0.0002004
2 0.0000853 -0.0014209 0.0004372 -0.0000246 -0.0004943 0.0006957 -0.0004653 -0.0005204 -0.0005128 -0.0005944
3 -0.0007368 -0.0012098 -0.0001348 0.0007012 0.0002515 -0.0008608 -0.0002429 -0.0009402 -0.0010838 0.0000213
4 0.3279819 -0.4179532 -0.0810233 -0.0105446 -0.0959118 0.3405800 -0.1111302 -0.0266740 0.0779767 0.0306133
5 0.1267254 0.0797835 -0.0421831 0.0700915 -0.3283455 0.1153371 -0.1243755 0.0258270 0.2138742 -0.0584500
6 -0.3222330 0.0082331 -0.4010488 -0.0586052 0.1263421 0.0526401 0.1355814 0.0948821 -0.0217338 0.2477910
7 0.2233278 0.1903149 -0.0634453 -0.1084428 -0.0835860 -0.4028553 0.1254276 0.0873406 0.1596127 -0.1250926
8 -0.2412360 0.3137966 -0.0686842 0.3171480 -0.3048773 -0.0805436 -0.0830215 -0.0577632 0.3430689 -0.0133031
9 -0.0237624 -0.0204953 -0.4981891 0.2570355 -0.0643641 0.1085767 0.3936728 0.1700874 0.0077842 0.3486100
10 -0.0296240 0.3372877 -0.0340086 0.0534036 0.1017071 -0.1827395 0.1388771 0.0162309 -0.4021556 0.0934548
11 0.1703624 -0.1551209 -0.2058221 0.3438636 -0.0571523 -0.0897082 -0.0509484 -0.2455324 0.1332488 -0.0096559
12 0.1518534 -0.0610315 0.1812144 0.5353961 -0.0723623 -0.0012296 0.4829761 -0.0916595 -0.0847124 -0.1336165
13 0.2656172 -0.0485524 -0.0112805 -0.1359054 -0.1950729 -0.3687784 0.2554256 0.1051245 0.0612211 -0.0851460
14 -0.0475466 -0.3207931 -0.0948482 0.2244094 0.0843454 0.1279526 -0.2250900 -0.2641250 -0.2843499 -0.0338696
15 -0.1376917 0.0318193 -0.0186285 0.1742305 0.0795227 -0.0715395 0.1549975 -0.3476179 -0.0905891 -0.5049503
16 0.2480596 0.2253132 -0.0971574 0.1492338 0.1088606 -0.0052691 -0.1625570 0.1904103 -0.5295721 -0.0112136
17 -0.1691828 0.2926089 0.0571881 0.2505394 -0.1646547 0.1067784 -0.3905729 0.0015328 -0.1352774 -0.0782788
18 0.0096305 0.0463248 0.5862293 0.2276758 -0.1828085 0.1933552 0.0648569 0.2445495 0.0048821 0.4011574
19 0.1131000 -0.2516283 -0.1271136 0.1348151 -0.2047191 -0.0849099 -0.1359649 0.6247257 -0.1717076 -0.3339672
20 0.1430522 0.0749424 -0.2399204 0.2583366 0.1056411 -0.1896679 -0.4078434 0.0367220 0.2292651 0.1794277
21 0.4010357 0.0731044 -0.0335860 -0.1380633 -0.3207276 -0.1545523 -0.0774409 -0.4322273 -0.2559805 0.3598757
22 0.0544283 0.3073080 -0.2382247 -0.2456663 -0.4309545 0.5153951 0.0806911 -0.0412651 -0.1017994 -0.2390691
23 0.4815262 0.3587389 -0.0088161 0.0706997 0.5277973 0.3269771 0.0246035 0.0538843 0.2613333 -0.0962593
21 22 23
1 -0.0001372 -0.0003399 0.0001742
2 -0.0003849 -0.0003999 -0.0004532
3 0.0004618 -0.0003915 0.0000960
4 -0.1827649 -0.0966761 -0.1956355
5 -0.0561404 -0.0505859 -0.1721547
6 0.0229995 0.0103743 0.0431656
7 0.3653707 0.0140089 0.4963611
8 0.1870231 0.1474259 -0.3439551
9 -0.0302842 -0.1053664 0.1566440
10 -0.3881234 0.3122323 -0.3220823
11 0.2736911 0.4308478 -0.1520377
12 -0.0764262 -0.2504430 0.1274587
13 -0.4220993 0.3705715 0.0445408
14 0.0419587 0.4534359 0.3549137
15 -0.0939289 -0.2639672 -0.0979377
16 0.4051573 -0.1272624 -0.1992597
17 -0.3133608 -0.0179186 0.4271034
18 0.0782872 0.1384823 0.0768439
19 -0.0123135 -0.0066119 -0.0787412
20 -0.3180823 -0.2782435 0.0891677
21 0.0256074 -0.2118479 -0.0182326
22 -0.0049713 0.1123108 0.1298101
23 -0.0538720 0.1608010 0.0317915
Copying root 2 to CC3_MISC file.
Setting initial CC3 eigenvalue to 0.1970650185
Iter=1 L=3 resetting norm
SigmaSS, D(norm sigma)= 0.1844474442
FSD , D(norm sigma)= -0.0002146096
WamefSD, D(norm sigma)= -0.0504752661
WmnieSD, D(norm sigma)= -0.0179220928
WmaijDS, D(norm sigma)= 0.1372919432
WabejDS, D(norm sigma)= 0.0649341534
WnmjeDS, D(norm sigma)= 0.0024246351
WbmfeDS, D(norm sigma)= 0.0021087226
Fbe_FDD , D(norm sigma)= -0.1600352324
Fmj_DD, D(norm sigma)= 0.2358309611
WmnijDD, D(norm sigma)= 0.1638083519
WabefDD, D(norm sigma)= 0.1845339730
WmbejDD, D(norm sigma)= -0.6240901901
WmnefDD XAF, D(norm sigma)= 0.0004137118
WmnefDD XLI, D(norm sigma)= 0.0008485408
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0016544221
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0014132113
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001002624
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.0857263504
FSD , D(norm sigma)= -0.0000306107
WamefSD, D(norm sigma)= -0.0139317694
WmnieSD, D(norm sigma)= -0.0077326938
WmaijDS, D(norm sigma)= 0.0338178269
WabejDS, D(norm sigma)= 0.0165678053
WnmjeDS, D(norm sigma)= 0.0004807064
WbmfeDS, D(norm sigma)= 0.0004534261
Fbe_FDD , D(norm sigma)= 0.1911486496
Fmj_DD, D(norm sigma)= 0.8132370339
WmnijDD, D(norm sigma)= 0.4458142840
WabefDD, D(norm sigma)= 0.4553656764
WmbejDD, D(norm sigma)= -1.8301362613
WmnefDD XAF, D(norm sigma)= 0.0013881375
WmnefDD XLI, D(norm sigma)= 0.0049202808
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0314094665
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0001590950
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000152856
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2985444156
FSD , D(norm sigma)= -0.0001770562
WamefSD, D(norm sigma)= -0.0103451901
WmnieSD, D(norm sigma)= -0.0591496127
WmaijDS, D(norm sigma)= 0.1022067266
WabejDS, D(norm sigma)= 0.0193279404
WnmjeDS, D(norm sigma)= 0.0001758543
WbmfeDS, D(norm sigma)= 0.0004796766
Fbe_FDD , D(norm sigma)= -0.0906245169
Fmj_DD, D(norm sigma)= 0.0669494116
WmnijDD, D(norm sigma)= 0.1021045596
WabefDD, D(norm sigma)= 0.0627171767
WmbejDD, D(norm sigma)= -0.2555960946
WmnefDD XAF, D(norm sigma)= 0.0006258923
WmnefDD XLI, D(norm sigma)= 0.0000089718
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= 0.0004548368
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0013623994
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000885936
resetting norm
The G Matrix
0 1 2
0 0.119932639436273 0.011828346401548 0.000390451726928
1 0.009843589918192 0.163673736721167 -0.000975389282920
2 0.000506221943057 -0.001885607081723 0.235602926620869
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 0.208262
1 0.968461
2 -0.013278
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0197337644359
Norm of residual vector 1 after precondition 0.0197337644359
2 0.1661693722 -3.09e-02 1.97e-02 N
Norm of residual vector af preconditioning 0.0142443397479
Iter=2 L=4 resetting norm
SigmaSS, D(norm sigma)= 0.2556161819
FSD , D(norm sigma)= 0.0000963092
WamefSD, D(norm sigma)= -0.0144831297
WmnieSD, D(norm sigma)= 0.0254632503
WmaijDS, D(norm sigma)= 0.0329808239
WabejDS, D(norm sigma)= 0.0027903705
WnmjeDS, D(norm sigma)= -0.0002501093
WbmfeDS, D(norm sigma)= -0.0000697282
Fbe_FDD , D(norm sigma)= 0.4768031597
Fmj_DD, D(norm sigma)= 0.8099412721
WmnijDD, D(norm sigma)= 0.3878592248
WabefDD, D(norm sigma)= 0.3352199452
WmbejDD, D(norm sigma)= -1.2238427279
WmnefDD XAF, D(norm sigma)= 0.0014957914
WmnefDD XLI, D(norm sigma)= 0.0012767992
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0413479148
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001914491
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000196619
resetting norm
The G Matrix
0 1 2 3
0 0.119932639436273 0.011828346401548 0.000390451726928 0.000524809802276
1 0.009843589918192 0.163673736721167 -0.000975389282920 -0.017395626060659
2 0.000506221943057 -0.001885607081723 0.235602926620869 -0.001492392205998
3 0.002480346090205 -0.018318513500808 -0.002316556658330 0.881352834708909
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 -0.211053
1 0.967577
2 0.014057
3 -0.024209
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0075389003453
Norm of residual vector 1 after precondition 0.0075389003453
2 0.1657630212 -4.06e-04 7.54e-03 N
Norm of residual vector af preconditioning 0.0050246211557
Iter=3 L=5 resetting norm
SigmaSS, D(norm sigma)= 0.2171006373
FSD , D(norm sigma)= 0.0000461336
WamefSD, D(norm sigma)= 0.0046525791
WmnieSD, D(norm sigma)= 0.0867703915
WmaijDS, D(norm sigma)= 0.0117653243
WabejDS, D(norm sigma)= 0.0018004538
WnmjeDS, D(norm sigma)= -0.0000401330
WbmfeDS, D(norm sigma)= 0.0000589895
Fbe_FDD , D(norm sigma)= 0.4913345142
Fmj_DD, D(norm sigma)= 0.9113583010
WmnijDD, D(norm sigma)= 0.4403168484
WabefDD, D(norm sigma)= 0.3297290027
WmbejDD, D(norm sigma)= -1.2751241922
WmnefDD XAF, D(norm sigma)= 0.0038672543
WmnefDD XLI, D(norm sigma)= 0.0010716204
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0469017065
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0002860105
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000218495
resetting norm
The G Matrix
0 1 2 3 4
0 0.119932639436273 0.011828346401548 0.000390451726928 0.000524809802276 0.003213565075324
1 0.009843589918192 0.163673736721167 -0.000975389282920 -0.017395626060659 0.000847527130657
2 0.000506221943057 -0.001885607081723 0.235602926620869 -0.001492392205998 0.000560599768968
3 0.002480346090205 -0.018318513500808 -0.002316556658330 0.881352834708909 -0.351503424589846
4 0.002781436462214 0.000760677252630 0.000468475937445 -0.349302673028072 0.994973061250424
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 -0.211999
1 -0.967102
2 0.014189
3 0.030143
4 -0.010586
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0039374926437
Norm of residual vector 1 after precondition 0.0039374926437
2 0.1656914698 -7.16e-05 3.94e-03 N
Norm of residual vector af preconditioning 0.0031517083020
Iter=4 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.2820926166
FSD , D(norm sigma)= 0.0000250369
WamefSD, D(norm sigma)= 0.0068791698
WmnieSD, D(norm sigma)= 0.0568741316
WmaijDS, D(norm sigma)= 0.0268409883
WabejDS, D(norm sigma)= 0.0039899486
WnmjeDS, D(norm sigma)= 0.0000185305
WbmfeDS, D(norm sigma)= -0.0000633954
Fbe_FDD , D(norm sigma)= 0.5263813466
Fmj_DD, D(norm sigma)= 0.8267801739
WmnijDD, D(norm sigma)= 0.3879714236
WabefDD, D(norm sigma)= 0.2686952014
WmbejDD, D(norm sigma)= -1.1392879421
WmnefDD XAF, D(norm sigma)= 0.0018117117
WmnefDD XLI, D(norm sigma)= 0.0005477165
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0386722740
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0003934014
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000629870
resetting norm
The G Matrix
0 1 2 3 4
0 0.119932639436273 0.011828346401548 0.000390451726928 0.000524809802276 0.003213565075324
1 0.009843589918192 0.163673736721167 -0.000975389282920 -0.017395626060659 0.000847527130657
2 0.000506221943057 -0.001885607081723 0.235602926620869 -0.001492392205998 0.000560599768968
3 0.002480346090205 -0.018318513500808 -0.002316556658330 0.881352834708909 -0.351503424589846
4 0.002781436462214 0.000760677252630 0.000468475937445 -0.349302673028072 0.994973061250424
5 0.004299618876806 -0.007276010597085 0.000246225266225 0.268059144747878 0.152214578532651
5
0 0.002490075381012
1 -0.005920880452807
2 0.000931911553815
3 0.268220380115845
4 0.151602606478005
5 1.054357086145909
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 -0.211882
1 0.966965
2 -0.014418
3 -0.033593
4 0.005036
5 0.013120
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0014951283700
Norm of residual vector 1 after precondition 0.0014951283700
2 0.1656706464 -2.08e-05 1.50e-03 N
Norm of residual vector af preconditioning 0.0009102673810
Iter=5 L=7 resetting norm
SigmaSS, D(norm sigma)= 0.2902984557
FSD , D(norm sigma)= 0.0001090357
WamefSD, D(norm sigma)= -0.0047667274
WmnieSD, D(norm sigma)= 0.0364298504
WmaijDS, D(norm sigma)= 0.0152646187
WabejDS, D(norm sigma)= 0.0039504950
WnmjeDS, D(norm sigma)= 0.0001736271
WbmfeDS, D(norm sigma)= 0.0001169857
Fbe_FDD , D(norm sigma)= 0.7158060285
Fmj_DD, D(norm sigma)= 0.9027285812
WmnijDD, D(norm sigma)= 0.4268336065
WabefDD, D(norm sigma)= 0.2836389298
WmbejDD, D(norm sigma)= -1.2301666702
WmnefDD XAF, D(norm sigma)= 0.0015064730
WmnefDD XLI, D(norm sigma)= 0.0001253634
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0354261800
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001158572
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000296394
resetting norm
The G Matrix
0 1 2 3 4
0 0.119932639436273 0.011828346401548 0.000390451726928 0.000524809802276 0.003213565075324
1 0.009843589918192 0.163673736721167 -0.000975389282920 -0.017395626060659 0.000847527130657
2 0.000506221943057 -0.001885607081723 0.235602926620869 -0.001492392205998 0.000560599768968
3 0.002480346090205 -0.018318513500808 -0.002316556658330 0.881352834708909 -0.351503424589846
4 0.002781436462214 0.000760677252630 0.000468475937445 -0.349302673028072 0.994973061250424
5 0.004299618876806 -0.007276010597085 0.000246225266225 0.268059144747878 0.152214578532651
6 0.000033467940247 -0.001671749367661 0.000394056532904 0.127722968668749 -0.227545766052356
5 6
0 0.002490075381012 0.000434477353169
1 -0.005920880452807 -0.001050132718716
2 0.000931911553815 -0.000106309752469
3 0.268220380115845 0.128104251209049
4 0.151602606478005 -0.226837387087096
5 1.054357086145909 0.186625582093053
6 0.186046501901371 1.215461705951512
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 0.211883
1 -0.966939
2 -0.014417
3 -0.033002
4 0.013460
5 0.003606
6 0.008301
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0004855471473
Norm of residual vector 1 after precondition 0.0004855471473
2 0.1656693701 -1.28e-06 4.86e-04 N
Norm of residual vector af preconditioning 0.0003176320669
Iter=6 L=8 resetting norm
SigmaSS, D(norm sigma)= 0.3306931246
FSD , D(norm sigma)= 0.0000638579
WamefSD, D(norm sigma)= -0.0063932197
WmnieSD, D(norm sigma)= 0.0284565100
WmaijDS, D(norm sigma)= 0.0216039867
WabejDS, D(norm sigma)= 0.0031687079
WnmjeDS, D(norm sigma)= 0.0000669912
WbmfeDS, D(norm sigma)= -0.0001039133
Fbe_FDD , D(norm sigma)= 0.5139227905
Fmj_DD, D(norm sigma)= 0.8370609332
WmnijDD, D(norm sigma)= 0.4080000981
WabefDD, D(norm sigma)= 0.2516910926
WmbejDD, D(norm sigma)= -0.9772108339
WmnefDD XAF, D(norm sigma)= 0.0012427333
WmnefDD XLI, D(norm sigma)= 0.0004082416
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0434022058
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000151134
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000102335
resetting norm
The G Matrix
0 1 2 3 4
0 0.119932639436273 0.011828346401548 0.000390451726928 0.000524809802276 0.003213565075324
1 0.009843589918192 0.163673736721167 -0.000975389282920 -0.017395626060659 0.000847527130657
2 0.000506221943057 -0.001885607081723 0.235602926620869 -0.001492392205998 0.000560599768968
3 0.002480346090205 -0.018318513500808 -0.002316556658330 0.881352834708909 -0.351503424589846
4 0.002781436462214 0.000760677252630 0.000468475937445 -0.349302673028072 0.994973061250424
5 0.004299618876806 -0.007276010597085 0.000246225266225 0.268059144747878 0.152214578532651
6 0.000033467940247 -0.001671749367661 0.000394056532904 0.127722968668749 -0.227545766052356
7 -0.000540816436034 0.002036877308075 0.000305342507099 -0.070708119221968 0.001667160984256
5 6 7
0 0.002490075381012 0.000434477353169 -0.001765807997962
1 -0.005920880452807 -0.001050132718716 -0.000889841840641
2 0.000931911553815 -0.000106309752469 -0.001392240613816
3 0.268220380115845 0.128104251209049 -0.070196325931017
4 0.151602606478005 -0.226837387087096 0.001454117014796
5 1.054357086145909 0.186625582093053 -0.059465604634902
6 0.186046501901371 1.215461705951512 0.354824560465098
7 -0.059006585775608 0.354167762168210 1.151321997385120
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 0.211872
1 -0.966935
2 0.014416
3 0.031612
4 0.014933
5 -0.002153
6 -0.009905
7 -0.005681
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0001878946729
Norm of residual vector 1 after precondition 0.0001878946729
2 0.1656708263 1.46e-06 1.88e-04 N
Norm of residual vector af preconditioning 0.0001143666499
Collapsing to 2 vector(s).
alpha
1 2 3 4 5 6 7 8
1 -0.9771819 -0.2513066 -0.0019384 -0.0030079 0.0018799 0.0035945 0.0011375 -0.0006047
2 0.2118721 -0.9669355 0.0144158 0.0316118 0.0149334 -0.0021531 -0.0099047 -0.0056809
3 0.0076464 -0.0249041 -0.9998706 0.0051568 0.0026965 0.0011677 0.0003223 -0.0007992
4 0.0107529 -0.0323318 -0.0057345 -0.6307311 -0.4362438 -0.0983827 0.5462675 0.3252230
5 0.0069436 -0.0133846 -0.0025741 -0.5788291 0.0517705 0.6646508 -0.2901377 -0.3637185
6 0.0018529 0.0057391 0.0027886 0.4670021 -0.1400807 0.7301609 0.4223629 0.2333855
7 0.0002883 -0.0016826 0.0000371 -0.2053361 0.6362167 0.1039817 -0.1392361 0.7225842
8 -0.0001996 0.0005195 0.0000274 0.0764606 -0.6183713 0.0677801 -0.6477154 0.4304752
alpha_old
1 2 3 4 5 6 7
1 -0.9771794 -0.2512942 0.0019379 0.0024927 0.0003648 -0.0036952 0.0001064
2 0.2118834 -0.9669393 -0.0144167 -0.0330020 0.0134597 0.0036064 0.0083012
3 0.0076490 -0.0249138 0.9998706 -0.0057686 0.0008847 -0.0011808 0.0005342
4 0.0107656 -0.0323605 0.0057353 0.6522939 -0.5781611 0.0235506 -0.4908271
5 0.0069244 -0.0133249 0.0025697 0.5779526 0.2373334 -0.6283374 0.4592007
6 0.0018799 0.0056594 -0.0027833 -0.4598762 -0.2515564 -0.7763704 -0.3530139
7 0.0002138 -0.0014765 -0.0000491 0.1669393 0.7388774 -0.0431094 -0.6507960
alpha_tot
1 2 3 4 5 6 7 8 9 10
1 -0.9771819 -0.2513066 -0.9771794 -0.2512942 -0.0019384 -0.0030079 0.0018799 0.0035945 0.0011375 -0.0006047
2 0.2118721 -0.9669355 0.2118834 -0.9669393 0.0144158 0.0316118 0.0149334 -0.0021531 -0.0099047 -0.0056809
3 0.0076464 -0.0249041 0.0076490 -0.0249138 -0.9998706 0.0051568 0.0026965 0.0011677 0.0003223 -0.0007992
4 0.0107529 -0.0323318 0.0107656 -0.0323605 -0.0057345 -0.6307311 -0.4362438 -0.0983827 0.5462675 0.3252230
5 0.0069436 -0.0133846 0.0069244 -0.0133249 -0.0025741 -0.5788291 0.0517705 0.6646508 -0.2901377 -0.3637185
6 0.0018529 0.0057391 0.0018799 0.0056594 0.0027886 0.4670021 -0.1400807 0.7301609 0.4223629 0.2333855
7 0.0002883 -0.0016826 0.0002138 -0.0014765 0.0000371 -0.2053361 0.6362167 0.1039817 -0.1392361 0.7225842
8 -0.0001996 0.0005195 0.0000000 0.0000000 0.0000274 0.0764606 -0.6183713 0.0677801 -0.6477154 0.4304752
11 12 13 14 15
1 0.0019379 0.0024927 0.0003648 -0.0036952 0.0001064
2 -0.0144167 -0.0330020 0.0134597 0.0036064 0.0083012
3 0.9998706 -0.0057686 0.0008847 -0.0011808 0.0005342
4 0.0057353 0.6522939 -0.5781611 0.0235506 -0.4908271
5 0.0025697 0.5779526 0.2373334 -0.6283374 0.4592007
6 -0.0027833 -0.4598762 -0.2515564 -0.7763704 -0.3530139
7 -0.0000491 0.1669393 0.7388774 -0.0431094 -0.6507960
8 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Change in CC3 energy from last iterated value -0.0313941922
Iter=7 L=4 resetting norm
SigmaSS, D(norm sigma)= 0.1696322046
FSD , D(norm sigma)= -0.0001890011
WamefSD, D(norm sigma)= -0.0524674788
WmnieSD, D(norm sigma)= -0.0163185565
WmaijDS, D(norm sigma)= 0.1280614542
WabejDS, D(norm sigma)= 0.0596958061
WnmjeDS, D(norm sigma)= 0.0022545455
WbmfeDS, D(norm sigma)= 0.0019497168
Fbe_FDD , D(norm sigma)= -0.1057028418
Fmj_DD, D(norm sigma)= 0.4056625633
WmnijDD, D(norm sigma)= 0.2440285131
WabefDD, D(norm sigma)= 0.2656563570
WmbejDD, D(norm sigma)= -0.9769693197
WmnefDD XAF, D(norm sigma)= 0.0006298810
WmnefDD XLI, D(norm sigma)= 0.0020481688
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0090089725
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0011708446
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001101966
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.1069504477
FSD , D(norm sigma)= -0.0000993323
WamefSD, D(norm sigma)= -0.0134226804
WmnieSD, D(norm sigma)= -0.0102123935
WmaijDS, D(norm sigma)= 0.0601191137
WabejDS, D(norm sigma)= 0.0306041373
WnmjeDS, D(norm sigma)= 0.0010345850
WbmfeDS, D(norm sigma)= 0.0009343725
Fbe_FDD , D(norm sigma)= 0.1062121959
Fmj_DD, D(norm sigma)= 0.7421692094
WmnijDD, D(norm sigma)= 0.4082729911
WabefDD, D(norm sigma)= 0.4104127436
WmbejDD, D(norm sigma)= -1.6511603668
WmnefDD XAF, D(norm sigma)= 0.0010731189
WmnefDD XLI, D(norm sigma)= 0.0035537314
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0300397112
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0003530537
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000187040
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2983308101
FSD , D(norm sigma)= 0.0000479469
WamefSD, D(norm sigma)= -0.0149962730
WmnieSD, D(norm sigma)= 0.0006731969
WmaijDS, D(norm sigma)= 0.0272532968
WabejDS, D(norm sigma)= 0.0069233027
WnmjeDS, D(norm sigma)= 0.0002282252
WbmfeDS, D(norm sigma)= -0.0000126856
Fbe_FDD , D(norm sigma)= 0.4126159660
Fmj_DD, D(norm sigma)= 0.8353264757
WmnijDD, D(norm sigma)= 0.3997563833
WabefDD, D(norm sigma)= 0.2320737940
WmbejDD, D(norm sigma)= -1.0824706367
WmnefDD XAF, D(norm sigma)= 0.0011435347
WmnefDD XLI, D(norm sigma)= 0.0002991974
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0349614705
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000859873
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000256974
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2764181527
FSD , D(norm sigma)= -0.0000168244
WamefSD, D(norm sigma)= -0.0210370445
WmnieSD, D(norm sigma)= 0.0033450148
WmaijDS, D(norm sigma)= 0.0300665680
WabejDS, D(norm sigma)= 0.0033136046
WnmjeDS, D(norm sigma)= -0.0001242122
WbmfeDS, D(norm sigma)= 0.0000078879
Fbe_FDD , D(norm sigma)= 0.4469559497
Fmj_DD, D(norm sigma)= 0.8201216377
WmnijDD, D(norm sigma)= 0.3998704496
WabefDD, D(norm sigma)= 0.2820150693
WmbejDD, D(norm sigma)= -1.2158028744
WmnefDD XAF, D(norm sigma)= 0.0013754390
WmnefDD XLI, D(norm sigma)= 0.0007028801
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0301897676
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0001173330
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000050896
resetting norm
The G Matrix
0 1 2 3
0 0.117436090638579 0.001775895938807 0.001032054982576 -0.000710182526579
1 -0.000187542063148 0.166020113964571 0.002994062658085 0.001060956808499
2 0.000001056415490 0.000008385336792 0.876448951319909 0.256900476626394
3 0.000001869680273 -0.000002536070695 0.257872839765205 0.779382878421893
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 -0.208102
1 -0.967821
2 -0.008463
3 0.010733
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0003213061608
Norm of residual vector 1 after precondition 0.0003213061608
2 0.1660132221 3.42e-04 3.21e-04 N
Norm of residual vector af preconditioning 0.0002247666253
Iter=8 L=5 resetting norm
SigmaSS, D(norm sigma)= 0.2366611149
FSD , D(norm sigma)= 0.0001104495
WamefSD, D(norm sigma)= -0.0232343311
WmnieSD, D(norm sigma)= 0.0068309293
WmaijDS, D(norm sigma)= 0.0263432635
WabejDS, D(norm sigma)= 0.0068393689
WnmjeDS, D(norm sigma)= 0.0000023129
WbmfeDS, D(norm sigma)= 0.0000795837
Fbe_FDD , D(norm sigma)= 0.5282781568
Fmj_DD, D(norm sigma)= 0.8593749889
WmnijDD, D(norm sigma)= 0.4207368854
WabefDD, D(norm sigma)= 0.3030525150
WmbejDD, D(norm sigma)= -1.1072492027
WmnefDD XAF, D(norm sigma)= 0.0008906916
WmnefDD XLI, D(norm sigma)= 0.0004722474
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0484711473
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001209872
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000099155
resetting norm
The G Matrix
0 1 2 3 4
0 0.117436090638579 0.001775895938807 0.001032054982576 -0.000710182526579 0.002249373726218
1 -0.000187542063148 0.166020113964571 0.002994062658085 0.001060956808499 0.000258957284628
2 0.000001056415490 0.000008385336792 0.876448951319909 0.256900476626394 -0.248171216730422
3 0.000001869680273 -0.000002536070695 0.257872839765205 0.779382878421893 -0.216247723243372
4 0.000515895274615 -0.000307874751178 -0.247161617873688 -0.215770671577530 1.026289655959779
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 -0.208107
1 -0.967829
2 0.009772
3 0.030094
4 -0.012519
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0001371542025
Norm of residual vector 1 after precondition 0.0001371542025
2 0.1660137212 4.99e-07 1.37e-04 N
Norm of residual vector af preconditioning 0.0000788495555
Iter=9 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.3256574406
FSD , D(norm sigma)= 0.0001604724
WamefSD, D(norm sigma)= 0.0066831810
WmnieSD, D(norm sigma)= 0.0524828456
WmaijDS, D(norm sigma)= 0.0125274465
WabejDS, D(norm sigma)= 0.0020843365
WnmjeDS, D(norm sigma)= 0.0003878934
WbmfeDS, D(norm sigma)= 0.0003395052
Fbe_FDD , D(norm sigma)= 0.7370151703
Fmj_DD, D(norm sigma)= 0.8963261539
WmnijDD, D(norm sigma)= 0.4288859355
WabefDD, D(norm sigma)= 0.3132911193
WmbejDD, D(norm sigma)= -1.1612101264
WmnefDD XAF, D(norm sigma)= 0.0024113486
WmnefDD XLI, D(norm sigma)= 0.0005107854
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0413365931
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001012882
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000181284
resetting norm
The G Matrix
0 1 2 3 4
0 0.117436090638579 0.001775895938807 0.001032054982576 -0.000710182526579 0.002249373726218
1 -0.000187542063148 0.166020113964571 0.002994062658085 0.001060956808499 0.000258957284628
2 0.000001056415490 0.000008385336792 0.876448951319909 0.256900476626394 -0.248171216730422
3 0.000001869680273 -0.000002536070695 0.257872839765205 0.779382878421893 -0.216247723243372
4 0.000515895274615 -0.000307874751178 -0.247161617873688 -0.215770671577530 1.026289655959779
5 -0.000820666936169 0.000068931866506 -0.096414541924172 -0.221230578661098 -0.340803232932310
5
0 -0.000793652195011
1 -0.000108965848478
2 -0.095408271629061
3 -0.221440306479629
4 -0.341447485003828
5 1.355225205655064
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 0.208097
1 -0.967834
2 0.032500
3 0.015120
4 -0.010294
5 0.005093
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0000483629055
Norm of residual vector 1 after precondition 0.0000483629055
2 0.1660138663 1.45e-07 4.84e-05 N
Norm of residual vector af preconditioning 0.0000344682463
Iter=10 L=7 resetting norm
SigmaSS, D(norm sigma)= 0.2527167893
FSD , D(norm sigma)= 0.0000508200
WamefSD, D(norm sigma)= 0.0051134697
WmnieSD, D(norm sigma)= 0.0293509474
WmaijDS, D(norm sigma)= 0.0294432698
WabejDS, D(norm sigma)= 0.0042810848
WnmjeDS, D(norm sigma)= 0.0000407017
WbmfeDS, D(norm sigma)= 0.0002094873
Fbe_FDD , D(norm sigma)= 0.5915159908
Fmj_DD, D(norm sigma)= 0.8441570133
WmnijDD, D(norm sigma)= 0.4111641655
WabefDD, D(norm sigma)= 0.2359415648
WmbejDD, D(norm sigma)= -0.9421429606
WmnefDD XAF, D(norm sigma)= 0.0011096863
WmnefDD XLI, D(norm sigma)= 0.0000834176
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0426297023
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001116820
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000283718
resetting norm
The G Matrix
0 1 2 3 4
0 0.117436090638579 0.001775895938807 0.001032054982576 -0.000710182526579 0.002249373726218
1 -0.000187542063148 0.166020113964571 0.002994062658085 0.001060956808499 0.000258957284628
2 0.000001056415490 0.000008385336792 0.876448951319909 0.256900476626394 -0.248171216730422
3 0.000001869680273 -0.000002536070695 0.257872839765205 0.779382878421893 -0.216247723243372
4 0.000515895274615 -0.000307874751178 -0.247161617873688 -0.215770671577530 1.026289655959779
5 -0.000820666936169 0.000068931866506 -0.096414541924172 -0.221230578661098 -0.340803232932310
6 0.000080450796682 0.000074846989746 0.042729739843119 -0.032830275154171 -0.192038142203813
5 6
0 -0.000793652195011 -0.000665509403016
1 -0.000108965848478 0.001150960293570
2 -0.095408271629061 0.043574900125749
3 -0.221440306479629 -0.032228243353894
4 -0.341447485003828 -0.192163825231995
5 1.355225205655064 -0.204026983610947
6 -0.203377125076792 1.198841414311085
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 0.208097
1 0.967836
2 -0.038339
3 0.010762
4 -0.005703
5 0.007696
6 -0.004280
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0000156183968
Norm of residual vector 1 after precondition 0.0000156183968
2 0.1660139482 8.19e-08 1.56e-05 N
Norm of residual vector af preconditioning 0.0000147175374
Iter=11 L=8 resetting norm
SigmaSS, D(norm sigma)= 0.2874013139
FSD , D(norm sigma)= -0.0000660363
WamefSD, D(norm sigma)= -0.0055064616
WmnieSD, D(norm sigma)= -0.0130347894
WmaijDS, D(norm sigma)= 0.0498545828
WabejDS, D(norm sigma)= 0.0118329901
WnmjeDS, D(norm sigma)= 0.0001228375
WbmfeDS, D(norm sigma)= 0.0002395992
Fbe_FDD , D(norm sigma)= 0.4323747899
Fmj_DD, D(norm sigma)= 0.7058425876
WmnijDD, D(norm sigma)= 0.3591340334
WabefDD, D(norm sigma)= 0.2094639980
WmbejDD, D(norm sigma)= -0.7648578187
WmnefDD XAF, D(norm sigma)= 0.0007511845
WmnefDD XLI, D(norm sigma)= 0.0002006680
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0347192844
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0001067669
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000111466
resetting norm
The G Matrix
0 1 2 3 4
0 0.117436090638579 0.001775895938807 0.001032054982576 -0.000710182526579 0.002249373726218
1 -0.000187542063148 0.166020113964571 0.002994062658085 0.001060956808499 0.000258957284628
2 0.000001056415490 0.000008385336792 0.876448951319909 0.256900476626394 -0.248171216730422
3 0.000001869680273 -0.000002536070695 0.257872839765205 0.779382878421893 -0.216247723243372
4 0.000515895274615 -0.000307874751178 -0.247161617873688 -0.215770671577530 1.026289655959779
5 -0.000820666936169 0.000068931866506 -0.096414541924172 -0.221230578661098 -0.340803232932310
6 0.000080450796682 0.000074846989746 0.042729739843119 -0.032830275154171 -0.192038142203813
7 0.000040436490056 0.000017406432110 -0.169673190487096 -0.267194983350568 -0.004939081932967
5 6 7
0 -0.000793652195011 -0.000665509403016 -0.000281050734618
1 -0.000108965848478 0.001150960293570 0.000438766258897
2 -0.095408271629061 0.043574900125749 -0.170356992965181
3 -0.221440306479629 -0.032228243353894 -0.268015414201748
4 -0.341447485003828 -0.192163825231995 -0.004002624693737
5 1.355225205655064 -0.204026983610947 0.269228519894002
6 -0.203377125076792 1.198841414311085 0.466912025322501
7 0.269409342040839 0.466289066306517 0.911701043503627
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 0.208083
1 0.967837
2 -0.035754
3 -0.020345
4 0.009331
5 0.007708
6 0.000521
7 0.007521
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0000125717522
Norm of residual vector 1 after precondition 0.0000125717522
2 0.1660139364 -1.18e-08 1.26e-05 N
Norm of residual vector af preconditioning 0.0000092922905
Collapsing to 2 vector(s).
alpha
1 2 3 4 5 6 7 8
1 0.9999921 -0.0365522 0.0010601 0.0002080 -0.0038445 -0.0011131 0.0000294 -0.0008710
2 0.0038700 -0.9993316 0.0020634 0.0031235 -0.0051611 0.0015341 0.0008527 -0.0002746
3 -0.0001223 -0.0001045 -0.0295303 -0.0277332 -0.8319563 0.5210946 0.0209555 -0.1835427
4 0.0000220 -0.0001843 0.0785984 0.7894991 0.3038237 0.4279245 0.0031568 -0.3061825
5 -0.0002922 -0.0004960 0.3783237 0.3950952 -0.4018185 -0.6887082 0.0762536 -0.2481333
6 0.0007005 -0.0001729 0.4202820 0.2028647 -0.1145780 0.1156225 -0.5603454 0.6632132
7 0.0001931 -0.0000699 0.5360793 -0.0689211 0.0596381 0.1920119 0.7592044 0.3028964
8 -0.0004225 0.0000384 -0.6211265 0.4170225 -0.1932761 -0.1441574 0.3214923 0.5285787
alpha_old
1 2 3 4 5 6 7
1 0.9999923 -0.0365522 0.0010503 -0.0037866 -0.0005998 -0.0011699 0.0008351
2 0.0038668 -0.9993316 0.0043520 -0.0047284 -0.0008552 0.0016445 0.0006264
3 -0.0000781 -0.0001084 0.0136036 -0.7840278 -0.4096153 0.4605631 0.0740877
4 0.0001038 -0.0001915 0.6401190 0.4738462 -0.4664124 0.3503981 0.1609055
5 -0.0003519 -0.0004895 0.5724329 -0.3636962 0.0446491 -0.6543321 0.3384517
6 0.0005746 -0.0001604 0.4273395 -0.1465838 0.1422408 0.0162264 -0.8808371
7 -0.0000228 -0.0000489 0.2823900 -0.0834966 0.7697063 0.4865027 0.2796352
alpha_tot
1 2 3 4 5 6 7 8 9 10
1 0.9999921 -0.0365522 0.9999923 -0.0365522 0.0010601 0.0002080 -0.0038445 -0.0011131 0.0000294 -0.0008710
2 0.0038700 -0.9993316 0.0038668 -0.9993316 0.0020634 0.0031235 -0.0051611 0.0015341 0.0008527 -0.0002746
3 -0.0001223 -0.0001045 -0.0000781 -0.0001084 -0.0295303 -0.0277332 -0.8319563 0.5210946 0.0209555 -0.1835427
4 0.0000220 -0.0001843 0.0001038 -0.0001915 0.0785984 0.7894991 0.3038237 0.4279245 0.0031568 -0.3061825
5 -0.0002922 -0.0004960 -0.0003519 -0.0004895 0.3783237 0.3950952 -0.4018185 -0.6887082 0.0762536 -0.2481333
6 0.0007005 -0.0001729 0.0005746 -0.0001604 0.4202820 0.2028647 -0.1145780 0.1156225 -0.5603454 0.6632132
7 0.0001931 -0.0000699 -0.0000228 -0.0000489 0.5360793 -0.0689211 0.0596381 0.1920119 0.7592044 0.3028964
8 -0.0004225 0.0000384 0.0000000 0.0000000 -0.6211265 0.4170225 -0.1932761 -0.1441574 0.3214923 0.5285787
11 12 13 14 15
1 0.0010503 -0.0037866 -0.0005998 -0.0011699 0.0008351
2 0.0043520 -0.0047284 -0.0008552 0.0016445 0.0006264
3 0.0136036 -0.7840278 -0.4096153 0.4605631 0.0740877
4 0.6401190 0.4738462 -0.4664124 0.3503981 0.1609055
5 0.5724329 -0.3636962 0.0446491 -0.6543321 0.3384517
6 0.4273395 -0.1465838 0.1422408 0.0162264 -0.8808371
7 0.2823900 -0.0834966 0.7697063 0.4865027 0.2796352
8 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Change in CC3 energy from last iterated value 0.0003431101
Iter=12 L=4 resetting norm
SigmaSS, D(norm sigma)= 0.1699551583
FSD , D(norm sigma)= -0.0001897517
WamefSD, D(norm sigma)= -0.0524839110
WmnieSD, D(norm sigma)= -0.0163648251
WmaijDS, D(norm sigma)= 0.1283010122
WabejDS, D(norm sigma)= 0.0598194878
WnmjeDS, D(norm sigma)= 0.0022598906
WbmfeDS, D(norm sigma)= 0.0019541120
Fbe_FDD , D(norm sigma)= -0.1068553977
Fmj_DD, D(norm sigma)= 0.4028085803
WmnijDD, D(norm sigma)= 0.2426273472
WabefDD, D(norm sigma)= 0.2641652668
WmbejDD, D(norm sigma)= -0.9708216565
WmnefDD XAF, D(norm sigma)= 0.0006288477
WmnefDD XLI, D(norm sigma)= 0.0020209497
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0088517121
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0011774715
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001111875
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.1064733933
FSD , D(norm sigma)= -0.0000982957
WamefSD, D(norm sigma)= -0.0133493721
WmnieSD, D(norm sigma)= -0.0101621481
WmaijDS, D(norm sigma)= 0.0596400438
WabejDS, D(norm sigma)= 0.0303594740
WnmjeDS, D(norm sigma)= 0.0010262533
WbmfeDS, D(norm sigma)= 0.0009253570
Fbe_FDD , D(norm sigma)= 0.1078016151
Fmj_DD, D(norm sigma)= 0.7437989910
WmnijDD, D(norm sigma)= 0.4091171749
WabefDD, D(norm sigma)= 0.4113940915
WmbejDD, D(norm sigma)= -1.6550857983
WmnefDD XAF, D(norm sigma)= 0.0010775969
WmnefDD XLI, D(norm sigma)= 0.0035745071
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0301030238
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0003488452
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000187550
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2796832943
FSD , D(norm sigma)= -0.0000987735
WamefSD, D(norm sigma)= -0.0112173916
WmnieSD, D(norm sigma)= -0.0567591480
WmaijDS, D(norm sigma)= 0.0827303533
WabejDS, D(norm sigma)= 0.0175675239
WnmjeDS, D(norm sigma)= 0.0003079770
WbmfeDS, D(norm sigma)= 0.0006811793
Fbe_FDD , D(norm sigma)= 0.0959816684
Fmj_DD, D(norm sigma)= 0.4887863938
WmnijDD, D(norm sigma)= 0.2593274556
WabefDD, D(norm sigma)= 0.1295268718
WmbejDD, D(norm sigma)= -0.6771772101
WmnefDD XAF, D(norm sigma)= 0.0008317716
WmnefDD XLI, D(norm sigma)= 0.0001994166
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0167311078
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0004798603
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000709475
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2781244341
FSD , D(norm sigma)= -0.0000236731
WamefSD, D(norm sigma)= -0.0092002957
WmnieSD, D(norm sigma)= -0.0074651929
WmaijDS, D(norm sigma)= 0.0357900740
WabejDS, D(norm sigma)= 0.0091931788
WnmjeDS, D(norm sigma)= 0.0001723702
WbmfeDS, D(norm sigma)= 0.0003056631
Fbe_FDD , D(norm sigma)= 0.4460062926
Fmj_DD, D(norm sigma)= 0.7780900537
WmnijDD, D(norm sigma)= 0.3911744809
WabefDD, D(norm sigma)= 0.2734286169
WmbejDD, D(norm sigma)= -1.0494224949
WmnefDD XAF, D(norm sigma)= 0.0010937445
WmnefDD XLI, D(norm sigma)= 0.0010984203
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0323282136
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000119667
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000192575
resetting norm
The G Matrix
0 1 2 3
0 0.117440468175814 -0.001966650146278 -0.000186083976920 0.000398106770526
1 -0.000002044653248 0.166010071518561 -0.000304365247167 -0.001462242543786
2 0.000000124444138 0.000000292655686 0.404340299730816 0.144955536013270
3 -0.000000244695008 -0.000000722667607 0.145634868868404 0.867644086235296
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 -0.208124
1 -0.967827
2 -0.029085
3 0.018188
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0000127254255
Norm of residual vector 1 after precondition 0.0000127254255
2 0.1660101528 -3.78e-06 1.27e-05 N
Norm of residual vector af preconditioning 0.0000095800035
Iter=13 L=5 resetting norm
SigmaSS, D(norm sigma)= 0.2775391531
FSD , D(norm sigma)= -0.0000182636
WamefSD, D(norm sigma)= -0.0029236418
WmnieSD, D(norm sigma)= 0.0236941570
WmaijDS, D(norm sigma)= 0.0235976676
WabejDS, D(norm sigma)= 0.0044373894
WnmjeDS, D(norm sigma)= 0.0000817911
WbmfeDS, D(norm sigma)= 0.0000817023
Fbe_FDD , D(norm sigma)= 0.4496093490
Fmj_DD, D(norm sigma)= 0.9560828532
WmnijDD, D(norm sigma)= 0.4694195310
WabefDD, D(norm sigma)= 0.2326716836
WmbejDD, D(norm sigma)= -0.7994898170
WmnefDD XAF, D(norm sigma)= 0.0008194483
WmnefDD XLI, D(norm sigma)= 0.0002733255
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0477104671
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000724691
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000072168
resetting norm
The G Matrix
0 1 2 3 4
0 0.117440468175814 -0.001966650146278 -0.000186083976920 0.000398106770526 -0.001226881947028
1 -0.000002044653248 0.166010071518561 -0.000304365247167 -0.001462242543786 0.000829657903459
2 0.000000124444138 0.000000292655686 0.404340299730816 0.144955536013270 0.351778193963492
3 -0.000000244695008 -0.000000722667607 0.145634868868404 0.867644086235296 0.271471944717953
4 -0.000838399137226 -0.000022280187389 0.350284010965261 0.271206884224015 1.374768945959460
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 0.208072
1 -0.967828
2 0.021311
3 -0.025200
4 -0.000575
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0000065070348
Norm of residual vector 1 after precondition 0.0000065070348
2 0.1660101298 -2.31e-08 6.51e-06 N
Norm of residual vector af preconditioning 0.0000051300920
Iter=14 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.2514678483
FSD , D(norm sigma)= -0.0000700567
WamefSD, D(norm sigma)= -0.0029389575
WmnieSD, D(norm sigma)= 0.0315383407
WmaijDS, D(norm sigma)= 0.0282471005
WabejDS, D(norm sigma)= 0.0050892745
WnmjeDS, D(norm sigma)= 0.0000549189
WbmfeDS, D(norm sigma)= 0.0000670611
Fbe_FDD , D(norm sigma)= 0.3469942567
Fmj_DD, D(norm sigma)= 0.8843022485
WmnijDD, D(norm sigma)= 0.4260793184
WabefDD, D(norm sigma)= 0.2180717667
WmbejDD, D(norm sigma)= -0.8707064415
WmnefDD XAF, D(norm sigma)= 0.0011290607
WmnefDD XLI, D(norm sigma)= 0.0000612090
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0464889778
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001065379
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000186610
resetting norm
The G Matrix
0 1 2 3 4
0 0.117440468175814 -0.001966650146278 -0.000186083976920 0.000398106770526 -0.001226881947028
1 -0.000002044653248 0.166010071518561 -0.000304365247167 -0.001462242543786 0.000829657903459
2 0.000000124444138 0.000000292655686 0.404340299730816 0.144955536013270 0.351778193963492
3 -0.000000244695008 -0.000000722667607 0.145634868868404 0.867644086235296 0.271471944717953
4 -0.000838399137226 -0.000022280187389 0.350284010965261 0.271206884224015 1.374768945959460
5 0.000663987199059 0.000025679940538 0.033170311409994 0.066347008785657 -0.366663737223723
5
0 0.000973424290542
1 0.000670603121905
2 0.032567334372555
3 0.066448305700671
4 -0.366559311685805
5 1.056085287171559
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 -0.208087
1 0.967828
2 -0.016028
3 -0.025352
4 -0.011050
5 0.001671
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0000031928682
Norm of residual vector 1 after precondition 0.0000031928682
2 0.1660101145 -1.53e-08 3.19e-06 N
Norm of residual vector af preconditioning 0.0000022283907
Iter=15 L=7 resetting norm
SigmaSS, D(norm sigma)= 0.3288477407
FSD , D(norm sigma)= 0.0000301593
WamefSD, D(norm sigma)= -0.0071562488
WmnieSD, D(norm sigma)= 0.0170087589
WmaijDS, D(norm sigma)= 0.0171903840
WabejDS, D(norm sigma)= 0.0016671696
WnmjeDS, D(norm sigma)= -0.0000264864
WbmfeDS, D(norm sigma)= -0.0000627156
Fbe_FDD , D(norm sigma)= 0.5909842483
Fmj_DD, D(norm sigma)= 0.8794726838
WmnijDD, D(norm sigma)= 0.4263089332
WabefDD, D(norm sigma)= 0.2671926945
WmbejDD, D(norm sigma)= -1.1094183141
WmnefDD XAF, D(norm sigma)= 0.0012337700
WmnefDD XLI, D(norm sigma)= 0.0003871221
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0370958268
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000495885
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000153597
resetting norm
The G Matrix
0 1 2 3 4
0 0.117440468175814 -0.001966650146278 -0.000186083976920 0.000398106770526 -0.001226881947028
1 -0.000002044653248 0.166010071518561 -0.000304365247167 -0.001462242543786 0.000829657903459
2 0.000000124444138 0.000000292655686 0.404340299730816 0.144955536013270 0.351778193963492
3 -0.000000244695008 -0.000000722667607 0.145634868868404 0.867644086235296 0.271471944717953
4 -0.000838399137226 -0.000022280187389 0.350284010965261 0.271206884224015 1.374768945959460
5 0.000663987199059 0.000025679940538 0.033170311409994 0.066347008785657 -0.366663737223723
6 -0.000626814865894 -0.000022887243910 0.042425225030809 0.045214312360521 0.136398943308843
5 6
0 0.000973424290542 -0.001937419543471
1 0.000670603121905 -0.000133793032918
2 0.032567334372555 0.043566939817539
3 0.066448305700671 0.045771239279317
4 -0.366559311685805 0.135344973618097
5 1.056085287171559 0.416815438355258
6 0.416703057006477 1.142521182502005
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 -0.208128
1 -0.967828
2 -0.013200
3 0.016795
4 -0.024365
5 0.005242
6 -0.000793
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0000015211913
Norm of residual vector 1 after precondition 0.0000015211913
2 0.1660101082 -6.28e-09 1.52e-06 N
Norm of residual vector af preconditioning 0.0000009653414
Iter=16 L=8 resetting norm
SigmaSS, D(norm sigma)= 0.2870434265
FSD , D(norm sigma)= 0.0000662087
WamefSD, D(norm sigma)= 0.0052147626
WmnieSD, D(norm sigma)= 0.0424168485
WmaijDS, D(norm sigma)= 0.0167420810
WabejDS, D(norm sigma)= 0.0016837517
WnmjeDS, D(norm sigma)= 0.0000470150
WbmfeDS, D(norm sigma)= 0.0000199804
Fbe_FDD , D(norm sigma)= 0.5792371599
Fmj_DD, D(norm sigma)= 0.9017687169
WmnijDD, D(norm sigma)= 0.4379043796
WabefDD, D(norm sigma)= 0.2331504877
WmbejDD, D(norm sigma)= -0.9669687492
WmnefDD XAF, D(norm sigma)= 0.0011787179
WmnefDD XLI, D(norm sigma)= 0.0001016720
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0431677890
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000866371
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000221611
resetting norm
The G Matrix
0 1 2 3 4
0 0.117440468175814 -0.001966650146278 -0.000186083976920 0.000398106770526 -0.001226881947028
1 -0.000002044653248 0.166010071518561 -0.000304365247167 -0.001462242543786 0.000829657903459
2 0.000000124444138 0.000000292655686 0.404340299730816 0.144955536013270 0.351778193963492
3 -0.000000244695008 -0.000000722667607 0.145634868868404 0.867644086235296 0.271471944717953
4 -0.000838399137226 -0.000022280187389 0.350284010965261 0.271206884224015 1.374768945959460
5 0.000663987199059 0.000025679940538 0.033170311409994 0.066347008785657 -0.366663737223723
6 -0.000626814865894 -0.000022887243910 0.042425225030809 0.045214312360521 0.136398943308843
7 -0.001503821931805 -0.000061497944606 -0.038391085988112 -0.045009522139254 -0.064341934081500
5 6 7
0 0.000973424290542 -0.001937419543471 -0.001096812471176
1 0.000670603121905 -0.000133793032918 0.001412529318007
2 0.032567334372555 0.043566939817539 -0.037829462448997
3 0.066448305700671 0.045771239279317 -0.044509023680137
4 -0.366559311685805 0.135344973618097 -0.064230802766291
5 1.056085287171559 0.416815438355258 -0.015011847528329
6 0.416703057006477 1.142521182502005 0.363928857173087
7 -0.016332959018222 0.364171994350167 1.274925492169876
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 0.208058
1 -0.967828
2 0.011796
3 -0.012586
4 -0.027812
5 0.001307
6 -0.002894
7 0.000559
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0000005976081
Norm of residual vector 1 after precondition 0.0000005976081
2 0.1660101048 -3.42e-09 5.98e-07 Y
Collapsing to 2 vector(s).
alpha
1 2 3 4 5 6 7 8
1 0.9999985 0.0404581 -0.0020226 -0.0021694 0.0016423 0.0009201 0.0014315 -0.0000899
2 -0.0000041 -0.9991812 -0.0111283 -0.0045921 -0.0015210 -0.0010366 -0.0004472 -0.0003516
3 -0.0007548 -0.0000336 0.8511077 -0.4299026 0.0292557 0.1433580 -0.1984102 0.1711384
4 -0.0000337 -0.0000045 -0.0180471 0.3177620 0.8375783 0.3184740 -0.2520855 0.1820784
5 0.0007662 0.0000251 -0.3826153 -0.2458986 -0.2404760 0.0487927 -0.5575922 0.6507750
6 -0.0005002 0.0000132 -0.3015901 -0.5438006 0.0530627 0.5863881 -0.1130515 -0.5041594
7 0.0003164 -0.0000055 0.1840454 0.5330427 -0.3733854 0.1900722 -0.6102445 -0.3655390
8 0.0012088 0.0000016 -0.0627557 -0.2717821 0.3123150 -0.7040324 -0.4483259 -0.3553243
alpha_old
1 2 3 4 5 6 7
1 -0.9999988 0.0404581 0.0019254 0.0020518 0.0023509 -0.0008559 0.0007381
2 -0.0000448 -0.9991812 0.0092691 0.0035843 -0.0016829 0.0000345 0.0000332
3 0.0006002 -0.0000332 -0.8722250 0.3847444 0.1135535 0.1628735 -0.2269490
4 0.0000291 -0.0000045 0.0221926 -0.4497526 0.8184245 0.2569309 -0.2504330
5 -0.0004689 0.0000246 0.3736462 0.3085699 -0.1714393 0.2637038 -0.8162432
6 0.0009230 0.0000125 0.2786018 0.5906703 0.2931601 0.5263262 0.4582972
7 -0.0009504 -0.0000045 -0.1463246 -0.4533988 -0.4493822 0.7489319 0.0974040
alpha_tot
1 2 3 4 5 6 7 8 9 10
1 0.9999985 0.0404581 -0.9999988 0.0404581 -0.0020226 -0.0021694 0.0016423 0.0009201 0.0014315 -0.0000899
2 -0.0000041 -0.9991812 -0.0000448 -0.9991812 -0.0111283 -0.0045921 -0.0015210 -0.0010366 -0.0004472 -0.0003516
3 -0.0007548 -0.0000336 0.0006002 -0.0000332 0.8511077 -0.4299026 0.0292557 0.1433580 -0.1984102 0.1711384
4 -0.0000337 -0.0000045 0.0000291 -0.0000045 -0.0180471 0.3177620 0.8375783 0.3184740 -0.2520855 0.1820784
5 0.0007662 0.0000251 -0.0004689 0.0000246 -0.3826153 -0.2458986 -0.2404760 0.0487927 -0.5575922 0.6507750
6 -0.0005002 0.0000132 0.0009230 0.0000125 -0.3015901 -0.5438006 0.0530627 0.5863881 -0.1130515 -0.5041594
7 0.0003164 -0.0000055 -0.0009504 -0.0000045 0.1840454 0.5330427 -0.3733854 0.1900722 -0.6102445 -0.3655390
8 0.0012088 0.0000016 0.0000000 0.0000000 -0.0627557 -0.2717821 0.3123150 -0.7040324 -0.4483259 -0.3553243
11 12 13 14 15
1 0.0019254 0.0020518 0.0023509 -0.0008559 0.0007381
2 0.0092691 0.0035843 -0.0016829 0.0000345 0.0000332
3 -0.8722250 0.3847444 0.1135535 0.1628735 -0.2269490
4 0.0221926 -0.4497526 0.8184245 0.2569309 -0.2504330
5 0.3736462 0.3085699 -0.1714393 0.2637038 -0.8162432
6 0.2786018 0.5906703 0.2931601 0.5263262 0.4582972
7 -0.1463246 -0.4533988 -0.4493822 0.7489319 0.0974040
8 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Change in CC3 energy from last iterated value -0.0000038316
Iter=17 L=4 resetting norm
SigmaSS, D(norm sigma)= 0.1699295091
FSD , D(norm sigma)= -0.0001900271
WamefSD, D(norm sigma)= -0.0525428609
WmnieSD, D(norm sigma)= -0.0163849253
WmaijDS, D(norm sigma)= 0.1283450897
WabejDS, D(norm sigma)= 0.0598246874
WnmjeDS, D(norm sigma)= 0.0022601824
WbmfeDS, D(norm sigma)= 0.0019549048
Fbe_FDD , D(norm sigma)= -0.1070287563
Fmj_DD, D(norm sigma)= 0.4031460965
WmnijDD, D(norm sigma)= 0.2427157381
WabefDD, D(norm sigma)= 0.2643057465
WmbejDD, D(norm sigma)= -0.9711282510
WmnefDD XAF, D(norm sigma)= 0.0006348907
WmnefDD XLI, D(norm sigma)= 0.0020230914
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0089072149
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0011787486
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001129316
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.1064733829
FSD , D(norm sigma)= -0.0000982935
WamefSD, D(norm sigma)= -0.0133472926
WmnieSD, D(norm sigma)= -0.0101610630
WmaijDS, D(norm sigma)= 0.0596384793
WabejDS, D(norm sigma)= 0.0303588913
WnmjeDS, D(norm sigma)= 0.0010262483
WbmfeDS, D(norm sigma)= 0.0009253088
Fbe_FDD , D(norm sigma)= 0.1077978920
Fmj_DD, D(norm sigma)= 0.7437992598
WmnijDD, D(norm sigma)= 0.4091172023
WabefDD, D(norm sigma)= 0.4113972845
WmbejDD, D(norm sigma)= -1.6550857125
WmnefDD XAF, D(norm sigma)= 0.0010774782
WmnefDD XLI, D(norm sigma)= 0.0035744669
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0301035988
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0003488221
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000187830
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2663031544
FSD , D(norm sigma)= -0.0000542007
WamefSD, D(norm sigma)= -0.0094275673
WmnieSD, D(norm sigma)= -0.0028597689
WmaijDS, D(norm sigma)= 0.0387247580
WabejDS, D(norm sigma)= 0.0078942372
WnmjeDS, D(norm sigma)= 0.0000988936
WbmfeDS, D(norm sigma)= 0.0001772702
Fbe_FDD , D(norm sigma)= 0.3714654585
Fmj_DD, D(norm sigma)= 0.7506640033
WmnijDD, D(norm sigma)= 0.3797693135
WabefDD, D(norm sigma)= 0.2100524338
WmbejDD, D(norm sigma)= -0.9659913293
WmnefDD XAF, D(norm sigma)= 0.0012344166
WmnefDD XLI, D(norm sigma)= 0.0001817604
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0335578037
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0001758919
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000134903
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.2902780633
FSD , D(norm sigma)= -0.0001317791
WamefSD, D(norm sigma)= -0.0064888523
WmnieSD, D(norm sigma)= -0.0371854999
WmaijDS, D(norm sigma)= 0.0781287433
WabejDS, D(norm sigma)= 0.0173413714
WnmjeDS, D(norm sigma)= 0.0004653120
WbmfeDS, D(norm sigma)= 0.0005230287
Fbe_FDD , D(norm sigma)= 0.1534626419
Fmj_DD, D(norm sigma)= 0.4411928593
WmnijDD, D(norm sigma)= 0.2344727424
WabefDD, D(norm sigma)= 0.1280188043
WmbejDD, D(norm sigma)= -0.5903191584
WmnefDD XAF, D(norm sigma)= 0.0006723281
WmnefDD XLI, D(norm sigma)= 0.0000898205
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0175954205
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0001564398
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0000266268
resetting norm
The G Matrix
0 1 2 3
0 0.117437250066003 0.001966955542332 0.000929649750751 -0.000128259257937
1 -0.000000022833300 0.166010147957338 -0.001655038359940 0.000273346967716
2 0.000000004459420 -0.000000004885910 0.761867200333888 0.306685976587077
3 0.000000002492654 -0.000000002821160 0.305998576775983 0.453650286633368
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 0.208058
1 0.967828
2 0.009247
3 0.002991
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0000005982406
Norm of residual vector 1 after precondition 0.0000005982406
2 0.1660101470 4.22e-08 5.98e-07 N
Norm of residual vector af preconditioning 0.0000004242568
Iter=18 L=5 resetting norm
SigmaSS, D(norm sigma)= 0.2458404674
FSD , D(norm sigma)= 0.0000236374
WamefSD, D(norm sigma)= 0.0019688537
WmnieSD, D(norm sigma)= 0.0284500173
WmaijDS, D(norm sigma)= 0.0186337083
WabejDS, D(norm sigma)= 0.0027662827
WnmjeDS, D(norm sigma)= 0.0001015462
WbmfeDS, D(norm sigma)= 0.0000119462
Fbe_FDD , D(norm sigma)= 0.4029642678
Fmj_DD, D(norm sigma)= 0.9065466484
WmnijDD, D(norm sigma)= 0.4379145577
WabefDD, D(norm sigma)= 0.2283129497
WmbejDD, D(norm sigma)= -0.9903984594
WmnefDD XAF, D(norm sigma)= 0.0010030615
WmnefDD XLI, D(norm sigma)= 0.0002952993
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0425186150
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001784905
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000246356
resetting norm
The G Matrix
0 1 2 3 4
0 0.117437250066003 0.001966955542332 0.000929649750751 -0.000128259257937 -0.001236154188935
1 -0.000000022833300 0.166010147957338 -0.001655038359940 0.000273346967716 0.000278605159457
2 0.000000004459420 -0.000000004885910 0.761867200333888 0.306685976587077 0.310875047322157
3 0.000000002492654 -0.000000002821160 0.305998576775983 0.453650286633368 0.136118417729126
4 0.000082057565998 -0.000002782281750 0.310385123493223 0.135703856425606 1.035102053711609
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 -0.208054
1 -0.967828
2 -0.008606
3 0.003903
4 -0.001884
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0000003091599
Norm of residual vector 1 after precondition 0.0000003091599
2 0.1660101460 -1.04e-09 3.09e-07 Y
Forcing restart to make sure new sigma vectors give same eigenvalue.
Collapsing to only 2 vector(s).
alpha
1 2 3 4 5
1 -1.0000000 0.0404618 0.0048289 -0.0024160 0.0003542
2 -0.0000030 0.9991811 -0.0122619 0.0021313 0.0005688
3 -0.0000547 0.0000005 0.5552662 -0.5978749 -0.5796792
4 0.0000065 -0.0000001 -0.8279475 -0.4605576 -0.3180420
5 0.0001070 -0.0000008 -0.0775152 0.6560655 -0.7502138
alpha_old
1 2 3 4
1 1.0000000 -0.0404618 -0.0039034 -0.0008656
2 0.0000005 -0.9991811 0.0111471 0.0016135
3 -0.0000000 -0.0000000 -0.5250808 -0.8515542
4 -0.0000000 -0.0000000 0.8509704 -0.5242633
alpha_tot
1 2 3 4 5
1 -1.0000000 0.0404618 0.0048289 -0.0024160 0.0003542
2 -0.0000030 0.9991811 -0.0122619 0.0021313 0.0005688
3 -0.0000547 0.0000005 0.5552662 -0.5978749 -0.5796792
4 0.0000065 -0.0000001 -0.8279475 -0.4605576 -0.3180420
5 0.0001070 -0.0000008 -0.0775152 0.6560655 -0.7502138
Change in CC3 energy from last iterated value 0.0000000412
Setting old CC3 eigenvalue to 0.1660101460
Iter=19 L=2 resetting norm
SigmaSS, D(norm sigma)= 0.1699291280
FSD , D(norm sigma)= -0.0001899918
WamefSD, D(norm sigma)= -0.0525374052
WmnieSD, D(norm sigma)= -0.0163889384
WmaijDS, D(norm sigma)= 0.1283455144
WabejDS, D(norm sigma)= 0.0598240531
WnmjeDS, D(norm sigma)= 0.0022600152
WbmfeDS, D(norm sigma)= 0.0019548648
Fbe_FDD , D(norm sigma)= -0.1070229673
Fmj_DD, D(norm sigma)= 0.4031417028
WmnijDD, D(norm sigma)= 0.2427116447
WabefDD, D(norm sigma)= 0.2643126654
WmbejDD, D(norm sigma)= -0.9711324114
WmnefDD XAF, D(norm sigma)= 0.0006345624
WmnefDD XLI, D(norm sigma)= 0.0020223721
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0089070380
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0011785790
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= 0.0001129848
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.1064728756
FSD , D(norm sigma)= -0.0000982941
WamefSD, D(norm sigma)= -0.0133473322
WmnieSD, D(norm sigma)= -0.0101608964
WmaijDS, D(norm sigma)= 0.0596380963
WabejDS, D(norm sigma)= 0.0303587362
WnmjeDS, D(norm sigma)= 0.0010262469
WbmfeDS, D(norm sigma)= 0.0009253044
Fbe_FDD , D(norm sigma)= 0.1077992530
Fmj_DD, D(norm sigma)= 0.7438006663
WmnijDD, D(norm sigma)= 0.4091178330
WabefDD, D(norm sigma)= 0.4113983180
WmbejDD, D(norm sigma)= -1.6550890853
WmnefDD XAF, D(norm sigma)= 0.0010774747
WmnefDD XLI, D(norm sigma)= 0.0035744563
<Psi|Hhat<T|(Uhat C2)c|0>|T>/(w-wt), D(norm sigma)= -0.0301037199
<Psi|Hhat<T|(Utilde T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0003488212
<Psi|H'<T|(Uhat T2)c|0>|T>/(w-wt), D(norm sigma)= -0.0000187837
resetting norm
The G Matrix
0 1
0 0.117437439648086 -0.001967094580255
1 -0.000000000245402 0.166010145518855
Root EOM Energy Delta E Res. Norm Conv?
Overlaps of Rs with EOM CCSD eigenvector:
0 0.208054
1 0.967828
follow_root returning: 1
Norm of residual vector 1 before precondition 0.0000003092321
Norm of residual vector 1 after precondition 0.0000003092321
2 0.1660101455 -4.54e-10 3.09e-07 Y
Collapsing to only 2 vector(s).
alpha
1 2
1 -1.0000000 0.0404648
2 -0.0000000 -0.9991810
alpha_old
1 2 3 4 5
1 -1.0000000 0.0404618 0.0048289 -0.0024160 0.0003542
2 -0.0000030 0.9991811 -0.0122619 0.0021313 0.0005688
3 -0.0000547 0.0000005 0.5552662 -0.5978749 -0.5796792
4 0.0000065 -0.0000001 -0.8279475 -0.4605576 -0.3180420
5 0.0001070 -0.0000008 -0.0775152 0.6560655 -0.7502138
alpha_tot
1 2
1 -1.0000000 0.0404648
2 -0.0000000 -0.9991810
Copying root 2 to start of EOM_Cxxx files.
Change in CC3 energy from last iterated value -0.0000000005
Procedure converged for 1 root(s).
<R|R> = 1.0000000000000000
EOM CC3 R0 for root 0 = 0.00000000000
Final Energetic Summary for Converged Roots of Irrep A1
Excitation Energy Total Energy
(eV) (cm^-1) (au) (au)
EOM State 1 4.517 36435.0 0.1660101455 -38.2219662324
Largest components of excited wave function #1:
RIA alpha
2 2 0.0382026616
2 1 -0.0353412199
2 0 -0.0252977425
1 23 0.0242733305
2 6 -0.0236334974
Ria beta
1 23 -0.3896732074
1 24 -0.3039743742
1 25 0.0932120193
1 27 -0.0731099163
1 26 -0.0569437127
RIJAB alpha
2 1 17 16 -0.0307448202
2 1 19 16 0.0211631000
2 1 21 16 -0.0192656683
2 1 22 16 0.0162363633
2 1 20 16 0.0158141054
Rijab beta
1 0 16 15 0.0092782036
1 0 23 8 0.0092477684
1 0 23 5 0.0088313350
1 0 23 2 -0.0082159159
1 0 24 7 0.0080607286
RIjAb alpha,beta
2 1 16 16 -0.6395380339
2 1 16 17 0.3575589115
2 1 17 16 -0.3170857892
2 1 17 17 0.1511140312
2 1 20 16 0.1166016296
Total # of sigma evaluations: 84
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:58 2008
user time = 22.14 seconds = 0.37 minutes
system time = 6.34 seconds = 0.11 minutes
total time = 29 seconds = 0.48 minutes
--------------------------
PSI3 Computation Completed
--------------------------
PSI3 stopped on augustus.chemistry.gatech.edu at Wed Mar 12 18:37:58 2008
Total PSI3 wall time 36 seconds = 0.60 minutes
******************************************************************************
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