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Added org-mode file
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#+TITLE: Stochastic perturbative triples
* Stochastic formulation
CuCl OK
2024-03-27 17:20:04 +01:00
The perturbative correction reads:2te
Added org-mode file
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\[
E_{(T)} = \sum_{ijkabc} E_{ijk}^{abc} = \sum_{ijkabc} \frac{(4 W_{ijk}^{abc} +
W_{ijk}^{bca} +
W_{ijk}^{cab})
(V_{ijk}^{abc} - V_{ijk}^{cba})}{\epsilon_i + \epsilon_j + \epsilon_k -
\epsilon_a - \epsilon_b - \epsilon_c}
\]
References DGEMM
2023-05-18 21:00:09 +02:00
where the indices $i,j,k$ run over the $N_o$ occupied orbitals, and
the indices $a,b,c$ run over the $N_v$ virtual orbitals.
If $E_{(T)}$ is re-expressed as
Added org-mode file
2023-05-18 19:42:46 +02:00
\[
E_{(T)} = \sum_{ijkabc} \frac{1}{N} \left( E_{ijk}^{abc} \times N \right)
\]
References DGEMM
2023-05-18 21:00:09 +02:00
where $N=N_o^3 N_v^3$ is the total number of terms, it can be computed by drawing
uniformly samples $E_{ijk}^{abc}$ and using the statistical average as
\[
E_{(T)} = N \times \langle E_{ijk}^{abc} \rangle
\]
Added org-mode file
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The stochastic calculation is unbiased, but the rate of convergence of
the statistical error is be governed by the variance of the
samples. Moreover, the total computational time is proportional to
the number of computed samples. The objective of this work is to
propose a stochastic algorithm which gives an estimate of $E_{(T)}$
with a small enough statistical error in less time than what is
required for the exact computation.
* Memoization
The perturbative correction can be re-expressed as the sum of
corrections indexed only by virtual orbitals:
\[
E_{(T)} = \sum_{a,b,c} E_{abc}
\]
where
\[
E_{abc} = \sum_{ijk} E_{ijk}^{abc}
\]
The Monte Carlo sampling can be made by drawing samples $E_{abc}$.
The great advantage of this re-expression is that the number of
triplets $(a,b,c)$ is $N_v^3$, which is expected to be small enough so
that all contributions $E_{abc}$ can be stored in memory. Therefore,
the first time a triplet $(a,b,c)$ is drawn, it is computed and
stored. Every next time the same triplet is drawn, the value is
fetched from memory. In this way, the $N_o^3 \times N_v$ cost of
computing the sample is paid only once, and all other evaluations are
negligible.
Algorithm
2024-04-16 14:16:19 +02:00
Hence, using a number of Monte Carlo samples large enough such that each
Added org-mode file
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contribution has been drawn at least once will have a computational
cost larger only by a negligible amount than the cost of making the
exact computation.
* Importance sampling
To reduce the variance of the samples, the samples are drawn using the
probability
\[
P(a,b,c) = \frac{1}{\mathcal{N}} \frac{1}{\epsilon_{\text{occ}} - \epsilon_a - \epsilon_b - \epsilon_c}
\]
where $\mathcal{N}$ is such that $\sum P(a,b,c) = 1$, and $\epsilon_{\text{occ}}$ is the average of the energy
contributions of the occupied orbitals:
\[ \epsilon_{\text{occ}} = \frac{3}{N_o} \sum_i \epsilon_i.
\]
The perturbative contribution is computed as
\[
E_{(T)} = \mathcal{N} \sum_{abc} P(a,b,c) \, E_{abc} \,
(\epsilon_{\text{occ}} - \epsilon_a - \epsilon_b - \epsilon_c) \,
Algorithm
2024-04-16 14:16:19 +02:00
\]
Added org-mode file
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This modification reduces the statistical error bars by a factor of two
for the same computational cost for two reasons:
1. The estimator has less fluctuations
2. Some triplets are more likely to be drawn than others, so
memoization is even more effective
* Multiple buckets
We use the inverse transform sampling technique to draw the
samples, so an array of pairs $( P(a,b,c), (a,b,c) )$ is stored.
To reduce even more the variance of the samples, this array is sorted
in decreasing order of $P(a,b,c)$, and the array is divided into
buckets $B$ where the sum of $P(a,b,c)$ in the same in each bucket.
As all buckets are equiprobable, one can safely generate samples which
are averages of samples drawn from each bucket. If the values of
$E_{abc}$ are skewed, this latest improvement reduces significantly
the variance.
* Semi-stochastic algorithm
The total perturbative contribution is the sum of contributions in
the buckets:
\[
E_{(T)} = \sum_B E_B = \sum_B\sum_{(a,b,c) \in B} E_{abc}
\]
When all the triplets of a bucket $B$ have been drawn at least once, the
contribution $E_B$ can be computed. Then, there is no need to evaluate
$E_B$ stochastically and we can separate the buckets into stochastic
($\mathcal{S}$) and deterministic ($\mathcal{D}$) buckets:
\[
E_{(T)} = \sum_{B \in \mathcal{D}} E_B + \frac{1}{|\mathcal{S}|} \sum_{B \in \mathcal{S}}
References DGEMM
2023-05-18 21:00:09 +02:00
\left \langle E^B_{abc} \times \frac{- \epsilon_a - \epsilon_b - \epsilon_c}{\mathcal{N}} \right \rangle_{P(a,b,c), (a,b,c) \in B}
Added org-mode file
2023-05-18 19:42:46 +02:00
\]
All the buckets don't have the same size: the number of triplets per
bucket is decreasing with the index of the bucket. So the first
buckets enter into the deterministic set first, and the stochastic
contribution becomes smaller and smaller. When all the triplets have
been drawn, the exact value is obtained without any statistical error.
To accelerate the filling of the buckets, at every Monte Carlo
iteration we trigger the computation of the first non-computed
triplet. Hence, after $N$ drawings we are sure to have computed the
exact contribution.
* Test code
#+begin_src python :results output :session
import numpy as np
import gzip
import time
ev_to_h = 0.03674930813664888
#+end_src
#+RESULTS:
The gzipped input file ~h2o_qz.gz~ contains data for the computation
of the valence perturbative triples correction of the water molecule
in the cc-pVQZ basis set.
Each line is composed of $a$, $b$, $c$, $(\epsilon_a + \epsilon_b + \epsilon_c)$ and $3\times E_{abc}$.
#+begin_src python :session
#TODO
#filetype=0
#filename = "h2o_qz.gz"
filetype=1
#filename = "UEG/nelec-14-norb-147.out.gz"
#filename = "UEG/nelec-38-norb-341.out.gz"
filename = "HBN/hbn.out.gz"
#filename = "HBN/hbn-36-176.out.gz"
denom = []
eabc = []
triplets = []
with gzip.open(filename, 'r') as f:
if filetype == 0:
for line in f:
a, b, c, d, e = line.split()
triplets.append( [int(a),int(b),int(c)] )
denom.append(float(d))
eabc.append(float(e)/3.)
else:
for line in f:
a, b, c, d, e = line.split()
triplets.append( [int(a),int(b),int(c)] )
denom.append(float(d)*ev_to_h)
eabc.append(-float(e)*ev_to_h)
triplets = np.array(triplets)
denom = np.array(denom)
eabc = np.array(eabc)
#+end_src
#+RESULTS:
The exact contribution is the sum of all $E_{abc}$:
#+NAME: e_ref
#+begin_src python :session
Nabc = int(len(eabc))
sum(eabc)
#+end_src
#+RESULTS: e_ref
: -0.03022743231272565
** Orbital energies
*** Occupied
The energies of the occupied orbitals are required to compute
$\epsilon_{\text{occ}}$:
#+NAME:orb_energies-h2o
| 1 | -1.3495166001 |
| 2 | -0.7144028522 |
| 3 | -0.5819477116 |
| 4 | -0.5081442470 |
#+NAME:orb_energies-14
| 1 | -0.40729666 |
| 2 | -0.18688829 |
| 3 | -0.18688829 |
| 4 | -0.18688829 |
| 5 | -0.18688829 |
| 6 | -0.18688829 |
| 7 | -0.18688829 |
#+NAME:orb_energies-38
| 1 | -0.40945392 |
| 2 | -0.28354874 |
| 3 | -0.28354874 |
| 4 | -0.28354874 |
| 5 | -0.28354874 |
| 6 | -0.28354874 |
| 7 | -0.28354874 |
| 8 | -0.15943825 |
| 9 | -0.15943825 |
| 10 | -0.15943825 |
| 11 | -0.15943825 |
| 12 | -0.15943825 |
| 13 | -0.15943825 |
| 14 | -0.15943825 |
| 15 | -0.15943825 |
| 16 | -0.15943825 |
| 17 | -0.15943825 |
| 18 | -0.15943825 |
| 19 | -0.15943825 |
#+NAME:orb_energies-hbn
| 1 | -0.93953654 |
| 2 | -0.92121891 |
| 3 | -0.78505256 |
| 4 | -0.77976882 |
| 5 | -0.48653647 |
| 6 | -0.47973909 |
| 7 | -0.33857221 |
| 8 | -0.30326521 |
| 9 | -0.30034533 |
| 10 | -0.22859891 |
| 11 | -0.18754927 |
| 12 | -0.18606588 |
| 13 | -0.15297849 |
| 14 | -0.15148893 |
| 15 | -0.12146057 |
| 16 | -0.084733892 |
#+NAME:orb_energies-hbn-36
| 1 | -0.93323231 |
| 2 | -0.91493460 |
| 3 | -0.77878864 |
| 4 | -0.77351063 |
| 5 | -0.48043513 |
| 6 | -0.47364310 |
| 7 | -0.33220283 |
| 8 | -0.29719087 |
| 9 | -0.29425309 |
| 10 | -0.22234047 |
| 11 | -0.18186670 |
| 12 | -0.18043512 |
| 13 | -0.14726115 |
| 14 | -0.14582101 |
| 15 | -0.11539548 |
| 16 | -0.078697018 |
#+TBLFM: $3=$2*0.03674930813664888
#+TBLFM: $1=@#
*** Virtual
The energies of the virtual orbitals are required for the importance
sampling function $\epsilon_{\text{vir}}$:
#+NAME:vir_energies-h2o
| 1 | 0.1170780927 |
| 2 | 0.1710190904 |
| 3 | 0.4494673807 |
| 4 | 0.4621202460 |
| 5 | 0.5016951241 |
| 6 | 0.5836694028 |
| 7 | 0.6051947963 |
| 8 | 0.6146697086 |
| 9 | 0.6565051177 |
| 10 | 0.7182063878 |
| 11 | 0.8516191972 |
| 12 | 0.9198243228 |
| 13 | 1.1120958387 |
| 14 | 1.1574553944 |
| 15 | 1.3462327164 |
| 16 | 1.4165525262 |
| 17 | 1.4800979932 |
| 18 | 1.4849525169 |
| 19 | 1.5786053722 |
| 20 | 1.6868289625 |
| 21 | 1.9114339643 |
| 22 | 2.0688122674 |
| 23 | 2.1955484330 |
| 24 | 2.2920067741 |
| 25 | 2.3622513733 |
| 26 | 2.4242696557 |
| 27 | 2.4882741718 |
| 28 | 2.5209123081 |
| 29 | 2.5830337542 |
| 30 | 2.5867616694 |
| 31 | 2.6542316478 |
| 32 | 2.6703494422 |
| 33 | 2.8415133159 |
| 34 | 2.8617578839 |
| 35 | 3.0383168770 |
| 36 | 3.1276003251 |
| 37 | 3.2948068036 |
| 38 | 3.3464975106 |
| 39 | 3.4589491034 |
| 40 | 3.6284221842 |
| 41 | 3.8256509147 |
| 42 | 4.0020447839 |
| 43 | 4.1256277268 |
| 44 | 4.1867673535 |
| 45 | 4.2141487650 |
| 46 | 4.4362998361 |
| 47 | 4.4947291066 |
| 48 | 4.7060661936 |
| 49 | 4.7521034075 |
| 50 | 4.7996510056 |
| 51 | 4.9280320715 |
| 52 | 5.3624272963 |
| 53 | 5.4026006683 |
| 54 | 5.9752399036 |
| 55 | 6.1056730507 |
| 56 | 6.2495153622 |
| 57 | 6.3165406593 |
| 58 | 6.7312795276 |
| 59 | 6.7921966285 |
| 60 | 7.0753837689 |
| 61 | 7.2750220790 |
| 62 | 7.3155097230 |
| 63 | 7.3689101210 |
| 64 | 7.4373090211 |
| 65 | 7.5364710135 |
| 66 | 7.5557420909 |
| 67 | 7.5687553410 |
| 68 | 7.9995654839 |
| 69 | 8.0806018979 |
| 70 | 8.0989771117 |
| 71 | 8.1437725027 |
| 72 | 8.1500310933 |
| 73 | 8.2750489171 |
| 74 | 8.3193045638 |
| 75 | 8.3573477176 |
| 76 | 8.4311162300 |
| 77 | 8.6177564754 |
| 78 | 8.8437328029 |
| 79 | 8.9093818035 |
| 80 | 8.9656095271 |
| 81 | 9.2370137178 |
| 82 | 9.3925685769 |
| 83 | 9.4140146116 |
| 84 | 9.9230302951 |
| 85 | 10.0156977150 |
| 86 | 10.2889761593 |
| 87 | 10.4424540894 |
| 88 | 10.6589001318 |
| 89 | 10.7573224755 |
| 90 | 10.8181869588 |
| 91 | 11.2934414670 |
| 92 | 11.4080819018 |
| 93 | 11.6045421043 |
| 94 | 11.6427826465 |
| 95 | 11.7038554829 |
| 96 | 11.8458216549 |
| 97 | 12.1936857310 |
| 98 | 12.3399716139 |
| 99 | 12.4248976056 |
| 100 | 12.4326416584 |
| 101 | 12.4615374955 |
| 102 | 13.6268899965 |
| 103 | 13.8184890674 |
| 104 | 14.2866145595 |
| 105 | 14.6487775661 |
| 106 | 14.6790346791 |
| 107 | 14.8758761065 |
| 108 | 16.4564806016 |
| 109 | 16.8432677225 |
| 110 | 44.3828489701 |
#+NAME:vir_energies-14
| 1 | 0.19320282 |
| 2 | 0.19320282 |
| 3 | 0.19320282 |
| 4 | 0.19320282 |
| 5 | 0.19320282 |
| 6 | 0.19320282 |
| 7 | 0.19320282 |
| 8 | 0.19320282 |
| 9 | 0.19320282 |
| 10 | 0.19320282 |
| 11 | 0.19320282 |
| 12 | 0.19320282 |
| 13 | 0.37219048 |
| 14 | 0.37219048 |
| 15 | 0.37219048 |
| 16 | 0.37219048 |
| 17 | 0.37219048 |
| 18 | 0.37219048 |
| 19 | 0.37219048 |
| 20 | 0.37219048 |
| 21 | 0.52219882 |
| 22 | 0.52219882 |
| 23 | 0.52219882 |
| 24 | 0.52219882 |
| 25 | 0.52219882 |
| 26 | 0.52219882 |
| 27 | 0.68533129 |
| 28 | 0.68533129 |
| 29 | 0.68533129 |
| 30 | 0.68533129 |
| 31 | 0.68533129 |
| 32 | 0.68533129 |
| 33 | 0.68533129 |
| 34 | 0.68533129 |
| 35 | 0.68533129 |
| 36 | 0.68533129 |
| 37 | 0.68533129 |
| 38 | 0.68533129 |
| 39 | 0.68533129 |
| 40 | 0.68533129 |
| 41 | 0.68533129 |
| 42 | 0.68533129 |
| 43 | 0.68533129 |
| 44 | 0.68533129 |
| 45 | 0.68533129 |
| 46 | 0.68533129 |
| 47 | 0.68533129 |
| 48 | 0.68533129 |
| 49 | 0.68533129 |
| 50 | 0.68533129 |
| 51 | 0.83869825 |
| 52 | 0.83869825 |
| 53 | 0.83869825 |
| 54 | 0.83869825 |
| 55 | 0.83869825 |
| 56 | 0.83869825 |
| 57 | 0.83869825 |
| 58 | 0.83869825 |
| 59 | 0.83869825 |
| 60 | 0.83869825 |
| 61 | 0.83869825 |
| 62 | 0.83869825 |
| 63 | 0.83869825 |
| 64 | 0.83869825 |
| 65 | 0.83869825 |
| 66 | 0.83869825 |
| 67 | 0.83869825 |
| 68 | 0.83869825 |
| 69 | 0.83869825 |
| 70 | 0.83869825 |
| 71 | 0.83869825 |
| 72 | 0.83869825 |
| 73 | 0.83869825 |
| 74 | 0.83869825 |
| 75 | 1.1378306 |
| 76 | 1.1378306 |
| 77 | 1.1378306 |
| 78 | 1.1378306 |
| 79 | 1.1378306 |
| 80 | 1.1378306 |
| 81 | 1.1378306 |
| 82 | 1.1378306 |
| 83 | 1.1378306 |
| 84 | 1.1378306 |
| 85 | 1.1378306 |
| 86 | 1.1378306 |
| 87 | 1.2852508 |
| 88 | 1.2852508 |
| 89 | 1.2852508 |
| 90 | 1.2852508 |
| 91 | 1.2852508 |
| 92 | 1.2852508 |
| 93 | 1.2860149 |
| 94 | 1.2860149 |
| 95 | 1.2860149 |
| 96 | 1.2860149 |
| 97 | 1.2860149 |
| 98 | 1.2860149 |
| 99 | 1.2860149 |
| 100 | 1.2860149 |
| 101 | 1.2860149 |
| 102 | 1.2860149 |
| 103 | 1.2860149 |
| 104 | 1.2860149 |
| 105 | 1.2860149 |
| 106 | 1.2860149 |
| 107 | 1.2860149 |
| 108 | 1.2860149 |
| 109 | 1.2860149 |
| 110 | 1.2860149 |
| 111 | 1.2860149 |
| 112 | 1.2860149 |
| 113 | 1.2860149 |
| 114 | 1.2860149 |
| 115 | 1.2860149 |
| 116 | 1.2860149 |
| 117 | 1.4331484 |
| 118 | 1.4331484 |
| 119 | 1.4331484 |
| 120 | 1.4331484 |
| 121 | 1.4331484 |
| 122 | 1.4331484 |
| 123 | 1.4331484 |
| 124 | 1.4331484 |
| 125 | 1.4331484 |
| 126 | 1.4331484 |
| 127 | 1.4331484 |
| 128 | 1.4331484 |
| 129 | 1.4331484 |
| 130 | 1.4331484 |
| 131 | 1.4331484 |
| 132 | 1.4331484 |
| 133 | 1.4331484 |
| 134 | 1.4331484 |
| 135 | 1.4331484 |
| 136 | 1.4331484 |
| 137 | 1.4331484 |
| 138 | 1.4331484 |
| 139 | 1.4331484 |
| 140 | 1.4331484 |
#+NAME:vir_energies-38
| 1 | 0.089587821 |
| 2 | 0.089587821 |
| 3 | 0.089587821 |
| 4 | 0.089587821 |
| 5 | 0.089587821 |
| 6 | 0.089587821 |
| 7 | 0.089587821 |
| 8 | 0.089587821 |
| 9 | 0.19634974 |
| 10 | 0.19634974 |
| 11 | 0.19634974 |
| 12 | 0.19634974 |
| 13 | 0.19634974 |
| 14 | 0.19634974 |
| 15 | 0.28787609 |
| 16 | 0.28787609 |
| 17 | 0.28787609 |
| 18 | 0.28787609 |
| 19 | 0.28787609 |
| 20 | 0.28787609 |
| 21 | 0.28787609 |
| 22 | 0.28787609 |
| 23 | 0.28787609 |
| 24 | 0.28787609 |
| 25 | 0.28787609 |
| 26 | 0.28787609 |
| 27 | 0.28787609 |
| 28 | 0.28787609 |
| 29 | 0.28787609 |
| 30 | 0.28787609 |
| 31 | 0.28787609 |
| 32 | 0.28787609 |
| 33 | 0.28787609 |
| 34 | 0.28787609 |
| 35 | 0.28787609 |
| 36 | 0.28787609 |
| 37 | 0.28787609 |
| 38 | 0.28787609 |
| 39 | 0.38006254 |
| 40 | 0.38006254 |
| 41 | 0.38006254 |
| 42 | 0.38006254 |
| 43 | 0.38006254 |
| 44 | 0.38006254 |
| 45 | 0.38006254 |
| 46 | 0.38006254 |
| 47 | 0.38006254 |
| 48 | 0.38006254 |
| 49 | 0.38006254 |
| 50 | 0.38006254 |
| 51 | 0.38006254 |
| 52 | 0.38006254 |
| 53 | 0.38006254 |
| 54 | 0.38006254 |
| 55 | 0.38006254 |
| 56 | 0.38006254 |
| 57 | 0.38006254 |
| 58 | 0.38006254 |
| 59 | 0.38006254 |
| 60 | 0.38006254 |
| 61 | 0.38006254 |
| 62 | 0.38006254 |
| 63 | 0.54632180 |
| 64 | 0.54632180 |
| 65 | 0.54632180 |
| 66 | 0.54632180 |
| 67 | 0.54632180 |
| 68 | 0.54632180 |
| 69 | 0.54632180 |
| 70 | 0.54632180 |
| 71 | 0.54632180 |
| 72 | 0.54632180 |
| 73 | 0.54632180 |
| 74 | 0.54632180 |
| 75 | 0.62788608 |
| 76 | 0.62788608 |
| 77 | 0.62788608 |
| 78 | 0.62788608 |
| 79 | 0.62788608 |
| 80 | 0.62788608 |
| 81 | 0.62788608 |
| 82 | 0.62788608 |
| 83 | 0.62788608 |
| 84 | 0.62788608 |
| 85 | 0.62788608 |
| 86 | 0.62788608 |
| 87 | 0.62788608 |
| 88 | 0.62788608 |
| 89 | 0.62788608 |
| 90 | 0.62788608 |
| 91 | 0.62788608 |
| 92 | 0.62788608 |
| 93 | 0.62788608 |
| 94 | 0.62788608 |
| 95 | 0.62788608 |
| 96 | 0.62788608 |
| 97 | 0.62788608 |
| 98 | 0.62788608 |
| 99 | 0.62856333 |
| 100 | 0.62856333 |
| 101 | 0.62856333 |
| 102 | 0.62856333 |
| 103 | 0.62856333 |
| 104 | 0.62856333 |
| 105 | 0.70752745 |
| 106 | 0.70752745 |
| 107 | 0.70752745 |
| 108 | 0.70752745 |
| 109 | 0.70752745 |
| 110 | 0.70752745 |
| 111 | 0.70752745 |
| 112 | 0.70752745 |
| 113 | 0.70752745 |
| 114 | 0.70752745 |
| 115 | 0.70752745 |
| 116 | 0.70752745 |
| 117 | 0.70752745 |
| 118 | 0.70752745 |
| 119 | 0.70752745 |
| 120 | 0.70752745 |
| 121 | 0.70752745 |
| 122 | 0.70752745 |
| 123 | 0.70752745 |
| 124 | 0.70752745 |
| 125 | 0.70752745 |
| 126 | 0.70752745 |
| 127 | 0.70752745 |
| 128 | 0.70752745 |
| 129 | 0.78589516 |
| 130 | 0.78589516 |
| 131 | 0.78589516 |
| 132 | 0.78589516 |
| 133 | 0.78589516 |
| 134 | 0.78589516 |
| 135 | 0.78589516 |
| 136 | 0.78589516 |
| 137 | 0.78589516 |
| 138 | 0.78589516 |
| 139 | 0.78589516 |
| 140 | 0.78589516 |
| 141 | 0.78589516 |
| 142 | 0.78589516 |
| 143 | 0.78589516 |
| 144 | 0.78589516 |
| 145 | 0.78589516 |
| 146 | 0.78589516 |
| 147 | 0.78589516 |
| 148 | 0.78589516 |
| 149 | 0.78589516 |
| 150 | 0.78589516 |
| 151 | 0.78589516 |
| 152 | 0.78589516 |
| 153 | 0.86364035 |
| 154 | 0.86364035 |
| 155 | 0.86364035 |
| 156 | 0.86364035 |
| 157 | 0.86364035 |
| 158 | 0.86364035 |
| 159 | 0.86364035 |
| 160 | 0.86364035 |
| 161 | 0.94081079 |
| 162 | 0.94081079 |
| 163 | 0.94081079 |
| 164 | 0.94081079 |
| 165 | 0.94081079 |
| 166 | 0.94081079 |
| 167 | 0.94081079 |
| 168 | 0.94081079 |
| 169 | 0.94081079 |
| 170 | 0.94081079 |
| 171 | 0.94081079 |
| 172 | 0.94081079 |
| 173 | 0.94081079 |
| 174 | 0.94081079 |
| 175 | 0.94081079 |
| 176 | 0.94081079 |
| 177 | 0.94081079 |
| 178 | 0.94081079 |
| 179 | 0.94081079 |
| 180 | 0.94081079 |
| 181 | 0.94081079 |
| 182 | 0.94081079 |
| 183 | 0.94081079 |
| 184 | 0.94081079 |
| 185 | 1.0177694 |
| 186 | 1.0177694 |
| 187 | 1.0177694 |
| 188 | 1.0177694 |
| 189 | 1.0177694 |
| 190 | 1.0177694 |
| 191 | 1.0177694 |
| 192 | 1.0177694 |
| 193 | 1.0177694 |
| 194 | 1.0177694 |
| 195 | 1.0177694 |
| 196 | 1.0177694 |
| 197 | 1.0177694 |
| 198 | 1.0177694 |
| 199 | 1.0177694 |
| 200 | 1.0177694 |
| 201 | 1.0177694 |
| 202 | 1.0177694 |
| 203 | 1.0177694 |
| 204 | 1.0177694 |
| 205 | 1.0177694 |
| 206 | 1.0177694 |
| 207 | 1.0177694 |
| 208 | 1.0177694 |
| 209 | 1.0177694 |
| 210 | 1.0177694 |
| 211 | 1.0177694 |
| 212 | 1.0177694 |
| 213 | 1.0177694 |
| 214 | 1.0177694 |
| 215 | 1.0177694 |
| 216 | 1.0177694 |
| 217 | 1.0177694 |
| 218 | 1.0177694 |
| 219 | 1.0177694 |
| 220 | 1.0177694 |
| 221 | 1.0177694 |
| 222 | 1.0177694 |
| 223 | 1.0177694 |
| 224 | 1.0177694 |
| 225 | 1.0177694 |
| 226 | 1.0177694 |
| 227 | 1.0177694 |
| 228 | 1.0177694 |
| 229 | 1.0177694 |
| 230 | 1.0177694 |
| 231 | 1.0177694 |
| 232 | 1.0177694 |
| 233 | 1.1708206 |
| 234 | 1.1708206 |
| 235 | 1.1708206 |
| 236 | 1.1708206 |
| 237 | 1.1708206 |
| 238 | 1.1708206 |
| 239 | 1.2468683 |
| 240 | 1.2468683 |
| 241 | 1.2468683 |
| 242 | 1.2468683 |
| 243 | 1.2468683 |
| 244 | 1.2468683 |
| 245 | 1.2468683 |
| 246 | 1.2468683 |
| 247 | 1.2468683 |
| 248 | 1.2468683 |
| 249 | 1.2468683 |
| 250 | 1.2468683 |
| 251 | 1.2468683 |
| 252 | 1.2468683 |
| 253 | 1.2468683 |
| 254 | 1.2468683 |
| 255 | 1.2468683 |
| 256 | 1.2468683 |
| 257 | 1.2468683 |
| 258 | 1.2468683 |
| 259 | 1.2468683 |
| 260 | 1.2468683 |
| 261 | 1.2468683 |
| 262 | 1.2468683 |
| 263 | 1.2469208 |
| 264 | 1.2469208 |
| 265 | 1.2469208 |
| 266 | 1.2469208 |
| 267 | 1.2469208 |
| 268 | 1.2469208 |
| 269 | 1.2469208 |
| 270 | 1.2469208 |
| 271 | 1.2469208 |
| 272 | 1.2469208 |
| 273 | 1.2469208 |
| 274 | 1.2469208 |
| 275 | 1.2469208 |
| 276 | 1.2469208 |
| 277 | 1.2469208 |
| 278 | 1.2469208 |
| 279 | 1.2469208 |
| 280 | 1.2469208 |
| 281 | 1.2469208 |
| 282 | 1.2469208 |
| 283 | 1.2469208 |
| 284 | 1.2469208 |
| 285 | 1.2469208 |
| 286 | 1.2469208 |
| 287 | 1.3228043 |
| 288 | 1.3228043 |
| 289 | 1.3228043 |
| 290 | 1.3228043 |
| 291 | 1.3228043 |
| 292 | 1.3228043 |
| 293 | 1.3228043 |
| 294 | 1.3228043 |
| 295 | 1.3228043 |
| 296 | 1.3228043 |
| 297 | 1.3228043 |
| 298 | 1.3228043 |
| 299 | 1.3228723 |
| 300 | 1.3228723 |
| 301 | 1.3228723 |
| 302 | 1.3228723 |
| 303 | 1.3228723 |
| 304 | 1.3228723 |
| 305 | 1.3228723 |
| 306 | 1.3228723 |
| 307 | 1.3228723 |
| 308 | 1.3228723 |
| 309 | 1.3228723 |
| 310 | 1.3228723 |
| 311 | 1.3228723 |
| 312 | 1.3228723 |
| 313 | 1.3228723 |
| 314 | 1.3228723 |
| 315 | 1.3228723 |
| 316 | 1.3228723 |
| 317 | 1.3228723 |
| 318 | 1.3228723 |
| 319 | 1.3228723 |
| 320 | 1.3228723 |
| 321 | 1.3228723 |
| 322 | 1.3228723 |
#+NAME:vir_energies-hbn
| 1 | 0.46523374 |
| 2 | 0.47190413 |
| 3 | 0.52766278 |
| 4 | 0.75894665 |
| 5 | 0.79372894 |
| 6 | 0.81533720 |
| 7 | 0.85502910 |
| 8 | 0.85996841 |
| 9 | 0.86164099 |
| 10 | 0.87081777 |
| 11 | 0.92274576 |
| 12 | 0.93485125 |
| 13 | 0.98156862 |
| 14 | 0.98258918 |
| 15 | 0.98352706 |
| 16 | 1.0139348 |
| 17 | 1.1023545 |
| 18 | 1.1149920 |
| 19 | 1.2342007 |
| 20 | 1.2570760 |
| 21 | 1.2905259 |
| 22 | 1.3642916 |
| 23 | 1.3661178 |
| 24 | 1.4402250 |
| 25 | 1.5383045 |
| 26 | 1.5553226 |
| 27 | 1.6069830 |
| 28 | 1.6114899 |
| 29 | 1.6612452 |
| 30 | 1.6830711 |
| 31 | 1.7813984 |
| 32 | 1.8183162 |
| 33 | 1.8190747 |
| 34 | 1.8305486 |
| 35 | 1.8460614 |
| 36 | 1.8723801 |
| 37 | 2.0206319 |
| 38 | 2.0432636 |
| 39 | 2.0757063 |
| 40 | 2.1004740 |
| 41 | 2.1054700 |
| 42 | 2.1063651 |
| 43 | 2.2238620 |
| 44 | 2.2446128 |
| 45 | 2.3007112 |
| 46 | 2.3328563 |
| 47 | 2.4020334 |
| 48 | 2.4188139 |
| 49 | 2.4204084 |
| 50 | 2.4650720 |
| 51 | 2.5651099 |
| 52 | 2.7104512 |
| 53 | 2.7373724 |
| 54 | 2.7437489 |
| 55 | 2.8547023 |
| 56 | 2.8580549 |
| 57 | 2.8726837 |
| 58 | 2.9212925 |
| 59 | 2.9333791 |
| 60 | 2.9595462 |
| 61 | 2.9712978 |
| 62 | 2.9781069 |
| 63 | 2.9805534 |
| 64 | 3.0321222 |
| 65 | 3.0844009 |
| 66 | 3.0880791 |
| 67 | 3.1729389 |
| 68 | 3.1765382 |
| 69 | 3.2249290 |
| 70 | 3.2617942 |
| 71 | 3.2988499 |
| 72 | 3.5313407 |
| 73 | 3.5900472 |
| 74 | 3.5924177 |
| 75 | 3.7169678 |
| 76 | 3.7567167 |
| 77 | 3.8425762 |
| 78 | 3.8658065 |
| 79 | 3.8664628 |
| 80 | 3.9456514 |
#+NAME:vir_energies-hbn-36
| 1 | 0.45821960 |
| 2 | 0.45955397 |
| 3 | 0.52417218 |
| 4 | 0.75814810 |
| 5 | 0.76944736 |
| 6 | 0.79918247 |
| 7 | 0.83833757 |
| 8 | 0.84234429 |
| 9 | 0.84624883 |
| 10 | 0.84773610 |
| 11 | 0.86555326 |
| 12 | 0.90752856 |
| 13 | 0.91381841 |
| 14 | 0.93078158 |
| 15 | 0.94927271 |
| 16 | 1.0019894 |
| 17 | 1.0516346 |
| 18 | 1.0603957 |
| 19 | 1.1622263 |
| 20 | 1.2124273 |
| 21 | 1.2251086 |
| 22 | 1.2669459 |
| 23 | 1.3119527 |
| 24 | 1.3236910 |
| 25 | 1.4020074 |
| 26 | 1.4180400 |
| 27 | 1.4247132 |
| 28 | 1.4252123 |
| 29 | 1.4343132 |
| 30 | 1.4943183 |
| 31 | 1.5538082 |
| 32 | 1.5739816 |
| 33 | 1.5797415 |
| 34 | 1.5878624 |
| 35 | 1.6135695 |
| 36 | 1.6136001 |
| 37 | 1.6199772 |
| 38 | 1.6589831 |
| 39 | 1.7186777 |
| 40 | 1.7815760 |
| 41 | 1.8076690 |
| 42 | 1.8148269 |
| 43 | 1.8396877 |
| 44 | 1.8671517 |
| 45 | 1.8879163 |
| 46 | 1.9024199 |
| 47 | 1.9776692 |
| 48 | 1.9806444 |
| 49 | 2.0328782 |
| 50 | 2.0402167 |
| 51 | 2.0535394 |
| 52 | 2.1583521 |
| 53 | 2.2173123 |
| 54 | 2.2298141 |
| 55 | 2.2445000 |
| 56 | 2.2944750 |
| 57 | 2.3297962 |
| 58 | 2.3424792 |
| 59 | 2.3443938 |
| 60 | 2.3605343 |
| 61 | 2.4364144 |
| 62 | 2.4587039 |
| 63 | 2.4595817 |
| 64 | 2.5735021 |
| 65 | 2.5857946 |
| 66 | 2.6315694 |
| 67 | 2.6660058 |
| 68 | 2.6670340 |
| 69 | 2.7380125 |
| 70 | 2.8020294 |
| 71 | 2.8441878 |
| 72 | 2.8727076 |
| 73 | 2.8830104 |
| 74 | 2.9157291 |
| 75 | 2.9276150 |
| 76 | 2.9350208 |
| 77 | 2.9790396 |
| 78 | 3.0588475 |
| 79 | 3.1333010 |
| 80 | 3.1380314 |
| 81 | 3.1675500 |
| 82 | 3.1780752 |
| 83 | 3.1878095 |
| 84 | 3.2247691 |
| 85 | 3.2446009 |
| 86 | 3.2626894 |
| 87 | 3.3304832 |
| 88 | 3.3478010 |
| 89 | 3.4550268 |
| 90 | 3.4889406 |
| 91 | 3.5369474 |
| 92 | 3.5465361 |
| 93 | 3.5513747 |
| 94 | 3.5521487 |
| 95 | 3.5986419 |
| 96 | 3.6403020 |
| 97 | 3.7330773 |
| 98 | 3.7426986 |
| 99 | 3.8073074 |
| 100 | 3.8372094 |
| 101 | 3.8411368 |
| 102 | 3.8413932 |
| 103 | 3.8451913 |
| 104 | 3.8725514 |
| 105 | 3.9332957 |
| 106 | 3.9460972 |
| 107 | 3.9506332 |
| 108 | 3.9697667 |
| 109 | 3.9830317 |
| 110 | 4.0843935 |
| 111 | 4.1546720 |
| 112 | 4.1606148 |
| 113 | 4.1872647 |
| 114 | 4.1948277 |
| 115 | 4.1983197 |
| 116 | 4.2076585 |
| 117 | 4.2141985 |
| 118 | 4.2384778 |
| 119 | 4.2905590 |
| 120 | 4.3597337 |
| 121 | 4.4268950 |
| 122 | 4.4429214 |
| 123 | 4.4447499 |
| 124 | 4.4831871 |
| 125 | 4.4875016 |
| 126 | 4.5399434 |
| 127 | 4.5508515 |
| 128 | 4.5755937 |
| 129 | 4.5866014 |
| 130 | 4.7271287 |
| 131 | 4.7297052 |
| 132 | 4.7502066 |
| 133 | 4.7600181 |
| 134 | 4.7745013 |
| 135 | 4.8402334 |
| 136 | 4.8438511 |
| 137 | 4.8754985 |
| 138 | 4.8769072 |
| 139 | 4.9093041 |
| 140 | 4.9869284 |
| 141 | 4.9905789 |
| 142 | 4.9981826 |
| 143 | 5.0028200 |
| 144 | 5.0579505 |
| 145 | 5.0811681 |
| 146 | 5.1274989 |
| 147 | 5.1731798 |
| 148 | 5.2753752 |
| 149 | 5.2894543 |
| 150 | 5.2915312 |
| 151 | 5.3884059 |
| 152 | 5.4042175 |
| 153 | 5.4225445 |
| 154 | 5.5326874 |
| 155 | 5.5802786 |
| 156 | 5.6484393 |
| 157 | 5.7163910 |
| 158 | 5.7426619 |
| 159 | 5.9004863 |
| 160 | 6.0031234 |
#+TBLFM: $1=@#
#+TBLFM: $3=$2*0.03674930813664888
*** Code
# TODO TODO
#+NAME: e_occ
#+begin_src python :var orb_energies=orb_energies-hbn :var vir_energies=vir_energies-hbn :session
epsilon = np.array(orb_energies)[:,1]
epsilon_v = np.array(vir_energies)[:,1]
e_occ = 3.*sum(epsilon)/len(epsilon)
e_occ
#+end_src
#+RESULTS: e_occ
: -1.208795827875
** Uniform distribution
Below is a simple code which computes the stochastic average with a
uniform sampling. Each unit of time corresponds to the computation
of a $E_{abc}$ contribution. The output is a table containing the
time, the running average and the statistical error.
The maximum running time for the computation of the exact quantity
is $N_v^3$ = src_python[:session]{len(eabc)}.
#+begin_src python :session
date = 0 # Current time: increments when a new triplet is computed
ET = 0. # Accumulator
ET2 = 0. # Accumulator of E^2 for variance
computed = np.zeros(len(eabc)) # If true, the (a,b,c) triplet has already
# been computed
result = {}
isample = 0
time0 = time.time()
while date < Nabc*0.99:
if time.time() - time0 > 60.: break
isample += 1
eta = np.random.uniform() # Random number between 0 and 1
abc = int(eta * Nabc) # Triplet (a,b,c) drawn
s = eabc[abc] * Nabc
if computed[abc] == 0:
computed[abc] = 1
date += 1
ET += s
ET2 += s*s
if date % int(Nabc/100) == 0:
average = ET/isample
variance = ET2/isample - average*average
result[date/Nabc] = (average, np.sqrt(variance/(isample-1)))
[ ("%.3f"%k, v1, v2) for (k, (v1, v2)) in result.items() ]
#+end_src
#+NAME:data_uniform
#+RESULTS:
| 0.010 | -0.03437642645957338 | 0.0030753630637821525 |
| 0.020 | -0.03196781983908248 | 0.001837822949804852 |
| 0.030 | -0.03177580311852873 | 0.001720127332029026 |
| 0.040 | -0.032298975146952 | 0.001428537377973462 |
| 0.050 | -0.031126606689641206 | 0.001185117590763498 |
| 0.060 | -0.030516572686857285 | 0.001022406320141158 |
| 0.070 | -0.03031613476271244 | 0.0009134000426629288 |
| 0.080 | -0.030158573217771642 | 0.0008258298216325343 |
| 0.090 | -0.029933996997862877 | 0.0007575679186364425 |
| 0.100 | -0.029939102663094793 | 0.0007449215086748057 |
| 0.110 | -0.03027078211599003 | 0.0007190676006701886 |
| 0.120 | -0.030412162274688476 | 0.000685566251636473 |
| 0.130 | -0.030270750417570543 | 0.0006430858167234617 |
| 0.140 | -0.030498507348269383 | 0.0006158540830116521 |
| 0.150 | -0.030490507925363328 | 0.0005906102179915185 |
| 0.160 | -0.030518954198717314 | 0.0005703431837634973 |
| 0.170 | -0.030213640271687846 | 0.0005409517176894218 |
| 0.180 | -0.030258679245643547 | 0.0005253652905405611 |
| 0.190 | -0.030333274426206692 | 0.0005198998863964522 |
| 0.200 | -0.0302733911551464 | 0.0005005950671897297 |
| 0.210 | -0.03026559364033272 | 0.0004825220030277329 |
| 0.220 | -0.03025586551613391 | 0.0004697550023708562 |
| 0.230 | -0.030302109366235522 | 0.0004642042573853746 |
| 0.240 | -0.030334648269316054 | 0.0004512365616056368 |
| 0.250 | -0.030361980739061295 | 0.00043886764696707026 |
| 0.260 | -0.030283750363813 | 0.0004275759671604114 |
| 0.270 | -0.03019387833526731 | 0.00041502890927369997 |
| 0.280 | -0.030136619610862777 | 0.00040250878507234827 |
| 0.290 | -0.030268317789462457 | 0.0003982341164866337 |
| 0.300 | -0.030181731817639737 | 0.0003874278989981271 |
| 0.310 | -0.030301090062314424 | 0.0003846766981229691 |
| 0.320 | -0.030181632844130373 | 0.0003735298694478283 |
| 0.330 | -0.030346788080401393 | 0.00037055227897075124 |
| 0.340 | -0.030321083505389944 | 0.0003625084242273785 |
| 0.350 | -0.03031844120867735 | 0.000356806596366249 |
| 0.360 | -0.03035148716708672 | 0.0003506711400078661 |
| 0.370 | -0.030277830709765356 | 0.000342171531867949 |
| 0.380 | -0.030378816651894357 | 0.00033986289765587766 |
| 0.390 | -0.030365402689548193 | 0.00033692599619419145 |
| 0.400 | -0.030354069178420165 | 0.0003304829598541888 |
| 0.410 | -0.03035383639056811 | 0.0003244053095678985 |
| 0.420 | -0.030471269175802472 | 0.00032212755052154384 |
| 0.430 | -0.030418257107866987 | 0.00031449404856775384 |
| 0.440 | -0.030474283193158074 | 0.00030961993631343425 |
| 0.450 | -0.03040771869558633 | 0.0003028770206064099 |
| 0.460 | -0.03043384154552774 | 0.0002986987882455902 |
| 0.470 | -0.03039059595415329 | 0.0002931504370002957 |
| 0.480 | -0.030399559731904162 | 0.0002914390291029102 |
| 0.490 | -0.03040840624488255 | 0.0002871330399747792 |
| 0.500 | -0.030433618775920112 | 0.0002831855505470479 |
| 0.510 | -0.030391034199860004 | 0.0002784795162104784 |
| 0.520 | -0.030423899086325607 | 0.0002743308344880197 |
| 0.530 | -0.030444941603789376 | 0.00027245899521168617 |
| 0.540 | -0.03041330750788333 | 0.00026863589194129245 |
| 0.550 | -0.030443843453372817 | 0.0002647887384537327 |
| 0.559 | -0.030395222302231326 | 0.0002601415325019499 |
| 0.569 | -0.03038575991898126 | 0.0002560350009762799 |
| 0.579 | -0.030397495421124035 | 0.0002527936986919491 |
| 0.589 | -0.03035703357086474 | 0.00024921038282965305 |
| 0.599 | -0.030367073503388766 | 0.00024530800378388815 |
| 0.609 | -0.03034865292438221 | 0.00024057255779665634 |
| 0.619 | -0.030347539456847126 | 0.00023759795719966657 |
| 0.629 | -0.03036816530066652 | 0.00023386406758813552 |
| 0.639 | -0.030309451544814934 | 0.0002309476317856454 |
| 0.649 | -0.03028625725934087 | 0.0002285039730992457 |
| 0.659 | -0.030283171113352016 | 0.00022505030956627053 |
| 0.669 | -0.030216545004483557 | 0.00022075959106823286 |
| 0.679 | -0.03018791803686861 | 0.000216409617148716 |
| 0.689 | -0.030130871402653105 | 0.00021274698033747194 |
| 0.699 | -0.030153535988059074 | 0.00020996270408764868 |
| 0.709 | -0.030168044632427723 | 0.0002072153449956144 |
| 0.719 | -0.03015132154087348 | 0.00020371937659283525 |
| 0.729 | -0.03014144950971066 | 0.00020003627563828567 |
| 0.739 | -0.030186887963037024 | 0.00019794215640513352 |
| 0.749 | -0.030190200081583077 | 0.00019445302614139054 |
| 0.759 | -0.03018461151070908 | 0.00019183973114613275 |
| 0.769 | -0.03015529655509179 | 0.00018896773795239234 |
| 0.779 | -0.030134327355261274 | 0.00018637601547252417 |
| 0.789 | -0.03020981162451403 | 0.0001840077069555368 |
| 0.799 | -0.030186994680259767 | 0.0001818700167991961 |
| 0.809 | -0.030213376244598432 | 0.00018020714866842657 |
| 0.819 | -0.030183390128740703 | 0.00017697198221723528 |
| 0.829 | -0.030188624472397507 | 0.00017415838147679145 |
| 0.839 | -0.030213048689140157 | 0.0001718757355807843 |
| 0.849 | -0.030212269469307065 | 0.0001688540171202461 |
| 0.859 | -0.03023028482655304 | 0.00016658369092061525 |
| 0.869 | -0.03025162562379045 | 0.00016327923756701636 |
| 0.879 | -0.030271262286699296 | 0.00016065941240476654 |
| 0.889 | -0.03024066238325353 | 0.00015672825220353865 |
| 0.899 | -0.030180757283723773 | 0.00015292568557125476 |
| 0.909 | -0.030208761640158285 | 0.00015035198771780757 |
| 0.919 | -0.030197429406441458 | 0.0001473411347540838 |
| 0.929 | -0.03020283963451932 | 0.0001434342057913342 |
| 0.939 | -0.030210225556278718 | 0.0001389552464182351 |
| 0.949 | -0.030208953008535155 | 0.0001355572097081645 |
| 0.959 | -0.030234393661962507 | 0.00013108868970967383 |
| 0.969 | -0.03017826794775221 | 0.00012494937843904978 |
| 0.979 | -0.03019828956553072 | 0.00011867981991075709 |
| 0.989 | -0.03022660358379614 | 0.00010982186878635525 |
** Importance sampling
*** Preparation
Sort the data according to $-1/\Delta \epsilon_o \times 1/\epsilon_a$:
#+begin_src python :session
def importance_function(i):
ea, eb, ec = epsilon_v[triplets[i,:]-1]
# return -1./denom[i]
# return -1./denom[i]**2
# return -1./denom[i] * 1./ea
return -1./denom[i] * 1./ea**2
# return -1./(ea*eb*ec)
# return -1./(ea*eb*ec)**2
# return -1./denom[i] * (
# 1./((ea-eb)**2-e_occ) + 1./((ea-ec)**2-e_occ) + 1./((eb-ec)**2-e_occ))
# return 1.
to_sort = []
for i in range(Nabc):
to_sort.append( (importance_function(i), eabc[i], denom[i]) )
to_sort.sort()
eabc_sorted = []
denom_sorted = []
for (_, y, z) in to_sort:
eabc_sorted.append(y)
denom_sorted.append(z)
denom_sorted = np.array(denom_sorted)
eabc_sorted = np.array(eabc_sorted)
#+end_src
#+RESULTS:
We build the array ~waccu~ which contains $w(x) = \frac{\int_0^x
P(y)\,dy}{\int_0^1 P(y)\, dy}$ for the inverse transform sampling.
#+begin_src python :session
w = []
for (x, _, _) in to_sort:
w.append(-x)
w = np.array(w)
waccu = np.array(w)
sum_w= 0.
for i in range(len(w)):
sum_w += w[i]
waccu[i] = sum_w
waccu = waccu / sum_w
w = w / sum_w
w
#+end_src
#+RESULTS:
| 0.000162384392 | 0.000161615667 | 0.000156174841 | ... | 2.82313861e-07 | 2.80523353e-07 | 2.80412476e-07 |
We will draw uniform random numbers and find their index in the
array ~waccu~:
#+begin_src python :session
def find_sample(eta):
return np.searchsorted(waccu, eta, side='left', sorter=None)
#+end_src
#+RESULTS:
*** Sampling
#+begin_src python :session
ET = 0. # Accumulator
ET2 = 0. # Accumulator of E^2 for variance
computed = np.zeros(Nabc) # If true, the (a,b,c) triplet has already
# been computed
date = 0. # Current time: increments when a new triplet is computed
dt = 1./Nabc
result = {}
isample = 0
prevdate = 0.
time0 = time.time()
while date < 0.99:
if time.time() - time0 > 60.: break
isample += 1
eta = np.random.uniform() # Random number between 0 and 1
abc = find_sample(eta)
s = eabc_sorted[abc] / w[abc]
if computed[abc] == 0:
computed[abc] = 1
date += dt
ET += s
ET2 += s*s
if date - prevdate > 0.01:
prevdate = date
dtmp = 1./isample
average = ET*dtmp
variance = ET2*dtmp - average*average
result[date] = ( average, np.sqrt(variance/(isample-1)) )
[ ("%.3f"%k, v1, v2) for (k, (v1, v2)) in result.items() ]
#+end_src
#+NAME:data_importance
#+RESULTS:
| 0.010 | -0.03027212822147209 | 0.0011742893979352206 |
| 0.020 | -0.0313009364341866 | 0.0009252120899929328 |
| 0.030 | -0.031057363530977423 | 0.0007281055373661676 |
| 0.040 | -0.031249853375632717 | 0.0006402801404234216 |
| 0.050 | -0.03122110948462111 | 0.0005750574146217905 |
| 0.060 | -0.03128348204672714 | 0.0005275262000247139 |
| 0.070 | -0.0308998979808618 | 0.0004726597407782536 |
| 0.080 | -0.03082342928319695 | 0.00044136523641729995 |
| 0.090 | -0.03061878595835833 | 0.00040625560663516984 |
| 0.100 | -0.03039442587808384 | 0.00037445927958614157 |
| 0.110 | -0.030414153392358843 | 0.0003555022536120971 |
| 0.120 | -0.030433890781777325 | 0.0003386617754861883 |
| 0.130 | -0.030412842186671795 | 0.00032521342707965395 |
| 0.140 | -0.030135851295907408 | 0.0003054031156376609 |
| 0.150 | -0.03017758373987041 | 0.00029160561167065966 |
| 0.160 | -0.030071710241627626 | 0.00028285433322913355 |
| 0.170 | -0.030187691754911785 | 0.00027362801402723217 |
| 0.180 | -0.03017792919745682 | 0.00026256836577371164 |
| 0.190 | -0.030066918230931893 | 0.0002520216317979708 |
| 0.200 | -0.03012732632783178 | 0.0002442961255034912 |
| 0.210 | -0.030138915946570068 | 0.00023654277814720348 |
| 0.220 | -0.030135951124831976 | 0.00022882972065217942 |
| 0.230 | -0.030189298295077573 | 0.00022288280644866787 |
| 0.240 | -0.030179114235883018 | 0.0002165756153934681 |
| 0.250 | -0.03020755367006979 | 0.00021062441315912225 |
| 0.260 | -0.030150949451180773 | 0.00020297280220009072 |
| 0.270 | -0.030113105404734098 | 0.0001968538782253076 |
| 0.280 | -0.03001178610814453 | 0.000190510244582427 |
| 0.290 | -0.030105460516270968 | 0.00018580175733023656 |
| 0.300 | -0.030206578515471226 | 0.0001820686148935213 |
| 0.310 | -0.030220596073402568 | 0.00017695300024148726 |
| 0.320 | -0.030253362198926707 | 0.000173110033483545 |
| 0.330 | -0.03025716666455987 | 0.00016884806376386556 |
| 0.340 | -0.03024767268207987 | 0.00016474215718864923 |
| 0.350 | -0.030245608121976592 | 0.0001610389817601625 |
| 0.360 | -0.030228130070767308 | 0.00015681822177276763 |
| 0.370 | -0.03019666434207847 | 0.00015286660948749957 |
| 0.380 | -0.0302247108757732 | 0.00014956619859720995 |
| 0.390 | -0.030277506060936692 | 0.0001473951646458563 |
| 0.400 | -0.030311036212474794 | 0.00014525747787829678 |
| 0.410 | -0.030319395740519034 | 0.0001423403120586929 |
| 0.420 | -0.030328754540608446 | 0.00013953020416052482 |
| 0.430 | -0.030335025610265645 | 0.00013717074592026099 |
| 0.440 | -0.03032536551327421 | 0.00013420580225141168 |
| 0.450 | -0.030317525082447477 | 0.00013090745868107453 |
| 0.460 | -0.030331154567198596 | 0.0001280412784818255 |
| 0.470 | -0.030346821228602428 | 0.0001254894342261729 |
| 0.480 | -0.030341062669058966 | 0.0001227585525308749 |
| 0.490 | -0.03032284123943016 | 0.0001199017169732116 |
| 0.500 | -0.030324593697131128 | 0.00011716907194040494 |
| 0.510 | -0.03036599520797054 | 0.0001149841429523499 |
| 0.520 | -0.030373500023963107 | 0.00011257695085119413 |
| 0.530 | -0.030398568034173238 | 0.00011033955037405243 |
| 0.540 | -0.030379771640186178 | 0.00010826945179330241 |
| 0.550 | -0.030392078925771775 | 0.00010591950473282571 |
| 0.560 | -0.0304026454971627 | 0.00010358492676711116 |
| 0.570 | -0.030389082287990102 | 0.0001011027020601961 |
| 0.580 | -0.03042023586750155 | 9.908928944756498e-05 |
| 0.590 | -0.03042662529206729 | 9.688702814501591e-05 |
| 0.600 | -0.03044723783359543 | 9.482918893094575e-05 |
| 0.610 | -0.03043219469351895 | 9.26971869085586e-05 |
| 0.620 | -0.03041964871512123 | 9.045177316867549e-05 |
| 0.630 | -0.03040801626098958 | 8.839118804599184e-05 |
| 0.640 | -0.030423340462181085 | 8.667968332871836e-05 |
| 0.650 | -0.03039653789830176 | 8.44014731598794e-05 |
| 0.660 | -0.03038052592884054 | 8.248031393751431e-05 |
| 0.670 | -0.030383047104467806 | 8.066997772997924e-05 |
| 0.680 | -0.03037101495895282 | 7.865737348265977e-05 |
| 0.690 | -0.030390109013467823 | 7.687785167133467e-05 |
| 0.700 | -0.03039164278824196 | 7.530409352036397e-05 |
| 0.710 | -0.030376353526121343 | 7.323158011397256e-05 |
| 0.720 | -0.030343481470340126 | 7.126805565409954e-05 |
| 0.730 | -0.03031777838164579 | 6.936365378349401e-05 |
| 0.740 | -0.030329363559433456 | 6.769454854815683e-05 |
| 0.750 | -0.030330011749874996 | 6.59686784438342e-05 |
| 0.760 | -0.030329426846525974 | 6.427621173496454e-05 |
| 0.770 | -0.030326548388485877 | 6.244765973081217e-05 |
| 0.780 | -0.030329650883986148 | 6.082490018420884e-05 |
| 0.790 | -0.030322073238055823 | 5.910514588411257e-05 |
| 0.800 | -0.030312381215268632 | 5.7421583243115227e-05 |
| 0.810 | -0.030299053653321258 | 5.5699918230207584e-05 |
| 0.820 | -0.030311512280480676 | 5.4102331646809365e-05 |
| 0.830 | -0.030325578671112484 | 5.2582898838102214e-05 |
| 0.840 | -0.030321914469912063 | 5.089177178614602e-05 |
| 0.850 | -0.030319285429001232 | 4.914371564960337e-05 |
| 0.860 | -0.030313500328097136 | 4.7470383207069204e-05 |
| 0.870 | -0.030305455309798633 | 4.582229909456817e-05 |
| 0.880 | -0.03029270937963236 | 4.401899624643128e-05 |
| 0.890 | -0.030287372422237557 | 4.221534263667604e-05 |
| 0.900 | -0.030273826343971428 | 4.0445160816126796e-05 |
| 0.910 | -0.030279937846679802 | 3.864802165815449e-05 |
| 0.920 | -0.03027407657538685 | 3.680080289715885e-05 |
| 0.930 | -0.030275647635292845 | 3.5030900270752445e-05 |
| 0.940 | -0.030275268108168343 | 3.30505449660589e-05 |
| 0.950 | -0.030255391500928076 | 3.1140646530112084e-05 |
| 0.960 | -0.030249858250144413 | 2.9083139511987113e-05 |
| 0.970 | -0.030243251806653753 | 2.6630322771430047e-05 |
| 0.980 | -0.030257401812890404 | 2.3870299829544822e-05 |
#+RESULTS:
** Semi-stochastic
*** Preparation
We split the contributions into 40 buckets:
#+begin_src python :session
Nbuckets = 40 # Number of buckets
bucket = []
abc_old = 0
idx0 = 0
idx1 = 0
bounds = []
for i in range(Nbuckets):
accu = 0
xi = (i+1)/Nbuckets
while idx1 < len(eabc) and waccu[idx1] <= xi:
accu += 1
idx1 += 1
bucket.append(accu)
bounds.append( (idx0, idx1) )
idx0 = idx1
#+end_src
#+RESULTS:
Contributions of each bucket:
#+name:E_B
#+begin_src python :session
result = []
for i in range(Nbuckets):
result.append( (i+1, sum(eabc_sorted[bounds[i][0]:bounds[i][1]])) )
result
#+end_src
#+RESULTS: E_B
| 1 | -0.0013677742901972176 |
| 2 | -0.0011041914108332854 |
| 3 | -0.0009275898609788052 |
| 4 | -0.0008073200317293237 |
| 5 | -0.0007790507659793898 |
| 6 | -0.0006121615146329108 |
| 7 | -0.0005770622533542697 |
| 8 | -0.0005142604992375494 |
| 9 | -0.00046382101884437956 |
| 10 | -0.0004039453565831979 |
| 11 | -0.000389650155472885 |
| 12 | -0.00029544073304587146 |
| 13 | -0.0003250768234388132 |
| 14 | -0.00028341936089169763 |
| 15 | -0.0002473003234040006 |
| 16 | -0.0003442889080859639 |
| 17 | -0.0003435619631738471 |
| 18 | -0.0004858997139826501 |
| 19 | -0.0009618635728221805 |
| 20 | -0.001429989465699455 |
| 21 | -0.0013470049374201519 |
| 22 | -0.001176633686853677 |
| 23 | -0.0009970812970662656 |
| 24 | -0.0009399212374881834 |
| 25 | -0.0009377932840110686 |
| 26 | -0.0008548897786545894 |
| 27 | -0.0007917116515238299 |
| 28 | -0.0008377443725186978 |
| 29 | -0.0008085988173851557 |
| 30 | -0.0007679194358436122 |
| 31 | -0.0006805914110088752 |
| 32 | -0.0006632464581929114 |
| 33 | -0.000653886276418067 |
| 34 | -0.0006694575639034294 |
| 35 | -0.0006153089357946734 |
| 36 | -0.0008010751950592366 |
| 37 | -0.0010914570803250902 |
| 38 | -0.0011707797198706584 |
| 39 | -0.0009276499869679824 |
| 40 | -0.0008310131640315182 |
#+begin_src gnuplot :var data=E_B :results file :file E_B.png
reset
set grid
set xlabel "Bucket index"
set ylabel "E_B"
plot data u 1:2 w lp title ""
#+end_src
#+RESULTS:
[[file:E_B.png]]
*** Sampling
#+begin_src python :session
ET = np.zeros(Nbuckets) # Energy of the bucket
ET2 = np.zeros(Nbuckets)
computed = np.zeros(Nabc) # If true, the (a,b,c) triplet has already
# been computed
bucket_comp = [ 0 ]*Nbuckets # Number of computed elements in the bucket
bucket_sampled = [ 0 ]*Nbuckets # Number of samples drawn in the bucket
imin = 0 # First non-computed contribution
date = 0
dt = 1./Nabc
result = {}
isample = 0
prevdate = 0.
time0 = time.time()
while date < 0.99:
if time.time() - time0 > 60.: break
isample += 1
# Force computation of 1st uncomputed triplet
while imin < Nabc and computed[imin] == 1:
imin += 1
computed[imin] = 1
date += dt
for i in range(Nbuckets):
if imin < bounds[i][1]:
bucket_comp[i] += 1
break
# Random sampling
eta = np.random.uniform(0.,1./Nbuckets) # Random number between
# 0 and 1/Nbuckets
# if True:
# i = np.random.randint(low=0,high=Nbuckets)
for i in range(Nbuckets):
eta_i = eta + i/Nbuckets
abc = find_sample(eta_i)
if computed[abc] == 0:
computed[abc] = 1
date += dt
bucket_comp[i] += 1
bucket_sampled[i] += 1
s = eabc_sorted[abc] / w[abc]
ET[i] += s
ET2[i] += s*s
if date - prevdate > 0.001:
prevdate = date
sum_det = 0.
average = 0.
variance = 0.
N = 0
norm = 0.
for i in range(Nbuckets):
if bucket_comp[i] >= bucket[i]:
sum_det += sum(eabc_sorted[bounds[i][0]:bounds[i][1]])
else:
average += ET [i]
variance += ET2[i]
N += bucket_sampled[i]
norm += sum(w[bounds[i][0]:bounds[i][1]])
if N == 0:
break
average = average/N * norm
variance = variance/N * norm * norm - average*average
result[date] = ( sum_det + average, np.sqrt(variance/(N-1)) )
[ ("%.3f"%k, v1, v2) for (k, (v1, v2)) in result.items() ]
#+end_src
#+NAME:data_semistoch
#+RESULTS:
| 0.001 | -0.03700252934055045 | 0.0039446587198956025 |
| 0.003 | -0.03816535382359609 | 0.0038208208777224563 |
| 0.004 | -0.03823708722776118 | 0.0028909427306171133 |
| 0.006 | -0.035477058071137275 | 0.002247199750908954 |
| 0.007 | -0.034245613400924205 | 0.001896709248931999 |
| 0.008 | -0.03364206951878407 | 0.0016639509024875523 |
| 0.010 | -0.03272048663758599 | 0.0014711824914169181 |
| 0.011 | -0.03204661390178344 | 0.001322421630968049 |
| 0.012 | -0.03247239543109624 | 0.0012886273407492139 |
| 0.014 | -0.03175941391454308 | 0.00118359399240578 |
| 0.015 | -0.03147754125129678 | 0.0011108993494206017 |
| 0.016 | -0.031017678239190105 | 0.0010391294918667723 |
| 0.018 | -0.031231735536857996 | 0.0009952425287539474 |
| 0.019 | -0.030918409685504133 | 0.0009434169449510998 |
| 0.020 | -0.03076948352418771 | 0.000903940058511309 |
| 0.021 | -0.030731805827973045 | 0.000870986845165927 |
| 0.023 | -0.030657131449181856 | 0.0008446635016691032 |
| 0.024 | -0.030418434317601425 | 0.0008236052557121908 |
| 0.026 | -0.030413475405211866 | 0.0008038247047447392 |
| 0.027 | -0.0302634458743812 | 0.00077726661752534 |
| 0.028 | -0.030099860020646314 | 0.0007493781343440913 |
| 0.030 | -0.030031414584741206 | 0.0007247571482425683 |
| 0.031 | -0.029861913390748302 | 0.0007034977703759773 |
| 0.032 | -0.030059889998951636 | 0.000683003955292924 |
| 0.034 | -0.029942110833037733 | 0.0006673144407280344 |
| 0.035 | -0.03010585057798657 | 0.0006590408230506174 |
| 0.036 | -0.030239317949261265 | 0.0006561827265267656 |
| 0.037 | -0.030196049865866686 | 0.0006443243760346761 |
| 0.038 | -0.030241106881002105 | 0.0006319770449670202 |
| 0.040 | -0.03016811032728042 | 0.000617108033453784 |
| 0.041 | -0.030350176642184847 | 0.0006165635992594986 |
| 0.042 | -0.030240504055469575 | 0.0006027883414881043 |
| 0.044 | -0.030243452024318145 | 0.000592125863157674 |
| 0.045 | -0.030224876961973447 | 0.0005814798995328184 |
| 0.046 | -0.030123772311770113 | 0.0005681146708359756 |
| 0.048 | -0.030144622828395962 | 0.0005605907864994292 |
| 0.049 | -0.030015693219271205 | 0.0005321448596201531 |
| 0.050 | -0.03018458396335074 | 0.0005355348097130672 |
| 0.052 | -0.03016822279138483 | 0.0005238345524062661 |
| 0.053 | -0.03011562822223151 | 0.0005160375156707 |
| 0.054 | -0.030195222853138512 | 0.0005103559989166096 |
| 0.055 | -0.03010728198315345 | 0.0005014043081161718 |
| 0.056 | -0.030248017288061903 | 0.0004970499573047812 |
| 0.058 | -0.030191948307978143 | 0.000490481069666529 |
| 0.059 | -0.030125170066960517 | 0.000483367721285067 |
| 0.060 | -0.030154424033964577 | 0.0004800909060633886 |
| 0.061 | -0.030133248378154606 | 0.00047395650514493845 |
| 0.062 | -0.030107309050102435 | 0.0004680280913700501 |
| 0.063 | -0.030272043639534847 | 0.00046749450189163664 |
| 0.065 | -0.03031856589756985 | 0.00046210918278845266 |
| 0.066 | -0.030277388584620448 | 0.00045599444321776407 |
| 0.067 | -0.03036370316099435 | 0.00045280823138617787 |
| 0.069 | -0.03046322299658464 | 0.00045512734443032383 |
| 0.070 | -0.03035119702465893 | 0.0004486259793506022 |
| 0.071 | -0.030419039108779976 | 0.00044817401080980614 |
| 0.073 | -0.030395213559428674 | 0.0004398158499293913 |
| 0.074 | -0.030341524748297603 | 0.00043307016376981794 |
| 0.075 | -0.030283854097569864 | 0.00042836583969847286 |
| 0.076 | -0.030253742572353238 | 0.00042354346970364465 |
| 0.077 | -0.03027487341006264 | 0.00042009345507324294 |
| 0.078 | -0.0302785611097896 | 0.000416736445723873 |
| 0.080 | -0.030281274099255278 | 0.0004120406856983387 |
| 0.081 | -0.030290494100580056 | 0.00040908692765803266 |
| 0.082 | -0.030266893434727403 | 0.0004028018039494786 |
| 0.083 | -0.030218347929600587 | 0.0003980635385584676 |
| 0.085 | -0.030211381844881494 | 0.0003925339697622152 |
| 0.086 | -0.03017150141441146 | 0.00038838228641229313 |
| 0.087 | -0.030291812317871827 | 0.0003813236293705212 |
| 0.088 | -0.03036709412699521 | 0.00037996636281608693 |
| 0.089 | -0.030373880408704056 | 0.00037560712293775744 |
| 0.091 | -0.030350177812443428 | 0.0003720575164884457 |
| 0.092 | -0.03039761574920972 | 0.0003708143976083477 |
| 0.093 | -0.030393689061324412 | 0.0003680000113594057 |
| 0.094 | -0.030422938001869772 | 0.00036615246750459 |
| 0.095 | -0.030403519598244076 | 0.00036306145436255764 |
| 0.096 | -0.030372434859504083 | 0.0003592451269566279 |
| 0.098 | -0.03042907201231523 | 0.0003585900840137507 |
| 0.099 | -0.03047975612038179 | 0.0003583197208192352 |
| 0.100 | -0.030471112401891765 | 0.0003555786225227624 |
| 0.101 | -0.03043905824709334 | 0.0003528144664398024 |
| 0.102 | -0.030478758561294655 | 0.00035116811688065225 |
| 0.103 | -0.030414108061452134 | 0.0003478379830471161 |
| 0.105 | -0.030376183345412592 | 0.00034484121606776153 |
| 0.106 | -0.030380072599887526 | 0.0003424579946640505 |
| 0.107 | -0.030387583043484854 | 0.00034024031802088996 |
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| 0.700 | -0.030207048938544583 | 2.4817946859578008e-05 |
| 0.701 | -0.030207388550310535 | 2.479592182672284e-05 |
| 0.702 | -0.03021060656050054 | 2.4777632405448497e-05 |
| 0.703 | -0.030209294238614143 | 2.4686470385092396e-05 |
| 0.704 | -0.030211746166858136 | 2.4702776952406476e-05 |
| 0.705 | -0.030214376801849525 | 2.467362266091271e-05 |
| 0.706 | -0.0302124383195512 | 2.4587440765398555e-05 |
| 0.707 | -0.030211934848703076 | 2.4535793964115276e-05 |
| 0.708 | -0.03021199722948173 | 2.446237478510165e-05 |
| 0.709 | -0.030214016653727978 | 2.4395347496839568e-05 |
| 0.710 | -0.030214205667939642 | 2.4328334675794685e-05 |
| 0.711 | -0.030216426886074472 | 2.4274894707874976e-05 |
| 0.712 | -0.030214862021117363 | 2.4194595727400487e-05 |
| 0.713 | -0.030212501233963733 | 2.4103443404776423e-05 |
| 0.714 | -0.030213942268093333 | 2.40437158883643e-05 |
| 0.715 | -0.03021222583872122 | 2.395749790641796e-05 |
| 0.716 | -0.030214946405361553 | 2.4055850776519824e-05 |
| 0.717 | -0.030217107257312647 | 2.4052677299919904e-05 |
| 0.718 | -0.030216016417794367 | 2.3973470262513967e-05 |
| 0.719 | -0.03021293168516915 | 2.390034860774629e-05 |
| 0.720 | -0.030212966829417178 | 2.3855534964418146e-05 |
| 0.721 | -0.0302118999778988 | 2.379474103544072e-05 |
| 0.722 | -0.030210205782311886 | 2.372985872603536e-05 |
| 0.723 | -0.03020970952241794 | 2.36783077593505e-05 |
| 0.724 | -0.030209730030916173 | 2.3605923343041063e-05 |
| 0.725 | -0.030210753999707934 | 2.3575999531073818e-05 |
| 0.726 | -0.030209244031517316 | 2.3497501138737576e-05 |
| 0.727 | -0.030208081916939026 | 2.341191611065945e-05 |
| 0.728 | -0.030206978455247873 | 2.3357621167997807e-05 |
| 0.729 | -0.03020526365234185 | 2.3262636081928728e-05 |
| 0.730 | -0.030204790165848237 | 2.3194613540136233e-05 |
| 0.731 | -0.030230234095460495 | 1.6724129295843063e-05 |
| 0.732 | -0.030232218540615266 | 1.68022369777236e-05 |
| 0.733 | -0.03023177158410597 | 1.6757266588021168e-05 |
| 0.734 | -0.030230973658447884 | 1.672134591515245e-05 |
| 0.735 | -0.030229548383976446 | 1.6652027472237707e-05 |
| 0.736 | -0.030228336047285486 | 1.659016279464154e-05 |
| 0.737 | -0.03022771942257852 | 1.653012510011394e-05 |
| 0.738 | -0.03022704286870281 | 1.6476039631367513e-05 |
| 0.739 | -0.03022809022816064 | 1.644299483130123e-05 |
| 0.740 | -0.03022814285973882 | 1.6410795860154076e-05 |
| 0.742 | -0.030228638122727435 | 1.636592649095813e-05 |
| 0.743 | -0.030228520499521457 | 1.6346810706810127e-05 |
| 0.744 | -0.030227426986658864 | 1.6295048472019136e-05 |
| 0.745 | -0.030228181273557347 | 1.627902011888257e-05 |
| 0.746 | -0.030229289594817407 | 1.625658416268233e-05 |
| 0.747 | -0.030229057035388175 | 1.624337981868662e-05 |
| 0.748 | -0.030229156179766972 | 1.619960850315325e-05 |
| 0.749 | -0.030229642766985282 | 1.6162916967362198e-05 |
| 0.750 | -0.030230209952063963 | 1.6156039332010053e-05 |
| 0.751 | -0.030229018532568163 | 1.609795326869262e-05 |
| 0.752 | -0.030228727917110402 | 1.6047110830558985e-05 |
| 0.753 | -0.0302293747847511 | 1.6000060878775222e-05 |
| 0.754 | -0.030229286365852693 | 1.5956340762367567e-05 |
| 0.755 | -0.030228210288308986 | 1.589605569458787e-05 |
| 0.756 | -0.03022806418452228 | 1.584573862800185e-05 |
| 0.757 | -0.030229383083411495 | 1.5833675618049e-05 |
| 0.758 | -0.030228999155612904 | 1.5791981303514143e-05 |
| 0.759 | -0.030228017296285527 | 1.5736406033634564e-05 |
| 0.760 | -0.030230546456656078 | 1.5775113610544624e-05 |
| 0.761 | -0.030232087957127816 | 1.5784955646808188e-05 |
| 0.762 | -0.030233182690752335 | 1.5739277502956198e-05 |
| 0.763 | -0.030233312525182413 | 1.5676905548588646e-05 |
| 0.764 | -0.03023313328682124 | 1.5654445894316105e-05 |
| 0.765 | -0.030235205027577844 | 1.573360746504268e-05 |
| 0.766 | -0.03023464727765013 | 1.5719695759783032e-05 |
| 0.767 | -0.03023293606904699 | 1.5670460983034406e-05 |
| 0.768 | -0.030230968085898084 | 1.561596070279173e-05 |
| 0.769 | -0.030229236306274252 | 1.5559562970707193e-05 |
| 0.770 | -0.030229177812854904 | 1.5516439743965666e-05 |
| 0.771 | -0.030231665752856664 | 1.5570608039681828e-05 |
| 0.772 | -0.030231302678420464 | 1.5524439190581956e-05 |
| 0.773 | -0.03023050070909305 | 1.5476744798579983e-05 |
| 0.774 | -0.030231129833030456 | 1.5506441709216533e-05 |
| 0.775 | -0.03023124021483201 | 1.547410494526466e-05 |
| 0.776 | -0.03023077119440113 | 1.542515637848024e-05 |
| 0.777 | -0.030229757124587447 | 1.5371671016339047e-05 |
| 0.778 | -0.030228863360484522 | 1.5311025006404482e-05 |
| 0.779 | -0.030229514640140624 | 1.5269838896766552e-05 |
| 0.780 | -0.03022702795817321 | 1.5204383110982937e-05 |
| 0.781 | -0.03022725287928772 | 1.5201013312389215e-05 |
| 0.782 | -0.03022648954604053 | 1.5148039094525775e-05 |
| 0.783 | -0.03022726456352859 | 1.5138339338194273e-05 |
| 0.784 | -0.030226313775411122 | 1.5097245597530697e-05 |
| 0.785 | -0.03022540749822869 | 1.5044102534917216e-05 |
| 0.786 | -0.030224291165486795 | 1.499366736944061e-05 |
| 0.787 | -0.030223191156926236 | 1.4947868467905148e-05 |
| 0.788 | -0.030222453064332303 | 1.4911025770625375e-05 |
| 0.789 | -0.03022182521040474 | 1.4855849250931893e-05 |
| 0.790 | -0.03022093329399444 | 1.48007432658905e-05 |
| 0.791 | -0.030221533787369623 | 1.4759941140637965e-05 |
| 0.793 | -0.03022101750204254 | 1.4709226831814448e-05 |
| 0.794 | -0.03022075742702106 | 1.4665674543052146e-05 |
| 0.795 | -0.030220155592592984 | 1.4610892373142858e-05 |
| 0.796 | -0.03021893996406051 | 1.4555004015488661e-05 |
| 0.797 | -0.03021810158936218 | 1.4500888820448206e-05 |
| 0.798 | -0.0302172057239775 | 1.4450765295872935e-05 |
| 0.799 | -0.030215758430726894 | 1.4391087688629144e-05 |
| 0.800 | -0.030215278573536068 | 1.4339537172849184e-05 |
| 0.801 | -0.030215270485309812 | 1.4311881794562437e-05 |
| 0.802 | -0.030213834796260518 | 1.4257867308084705e-05 |
| 0.803 | -0.030212522926053167 | 1.420345543373191e-05 |
| 0.804 | -0.030212710056877 | 1.4203583753118882e-05 |
| 0.805 | -0.030211061165614006 | 1.4152189844059102e-05 |
| 0.806 | -0.030212075938783736 | 1.4139016837808808e-05 |
| 0.807 | -0.030211638509420838 | 1.41252712638804e-05 |
| 0.808 | -0.03021126280187039 | 1.408087812579682e-05 |
| 0.809 | -0.030212074690722183 | 1.4072225138355538e-05 |
| 0.810 | -0.030210547216521843 | 1.4028808480823212e-05 |
| 0.811 | -0.030209590144848933 | 1.398646652618029e-05 |
| 0.812 | -0.030210444830242118 | 1.3968858353726501e-05 |
| 0.813 | -0.03021242043543164 | 1.3956884792445954e-05 |
| 0.814 | -0.030211213717798925 | 1.3901519913518457e-05 |
| 0.815 | -0.030209075869342076 | 8.716560647690737e-06 |
| 0.816 | -0.03020923720013561 | 8.70167422021467e-06 |
| 0.817 | -0.030210035296427965 | 8.680004126238991e-06 |
| 0.818 | -0.03020989612774896 | 8.661996469568901e-06 |
| 0.819 | -0.030209731708503253 | 8.632843346877264e-06 |
| 0.820 | -0.030209217455280813 | 8.593895076312568e-06 |
| 0.821 | -0.03020953735275985 | 8.57155815096469e-06 |
| 0.822 | -0.030209308545703476 | 8.546922632109312e-06 |
| 0.823 | -0.030209164049168034 | 8.513970760698565e-06 |
| 0.824 | -0.030211226716804634 | 8.547676305288208e-06 |
| 0.825 | -0.030210505274186568 | 8.5103286146217e-06 |
| 0.826 | -0.030210353297981607 | 8.4773722757964e-06 |
| 0.827 | -0.030210540746705556 | 8.456392029485402e-06 |
| 0.828 | -0.030210274058693157 | 8.42527659308951e-06 |
| 0.829 | -0.030210889275712968 | 8.442970687944252e-06 |
| 0.830 | -0.03021071673359091 | 8.412857551740456e-06 |
| 0.831 | -0.030210738578801466 | 8.38332388330666e-06 |
| 0.832 | -0.03021129780744254 | 8.369540700072376e-06 |
| 0.833 | -0.03021056396793647 | 8.341017193489866e-06 |
| 0.834 | -0.03021084240528144 | 8.321155420381514e-06 |
| 0.835 | -0.030211050359295794 | 8.305315285504526e-06 |
| 0.836 | -0.030211538790940098 | 8.310582065151081e-06 |
| 0.837 | -0.0302115670217229 | 8.291073113205239e-06 |
| 0.838 | -0.030211698081944793 | 8.281858730204025e-06 |
| 0.839 | -0.03021193880747203 | 8.256925188390013e-06 |
| 0.840 | -0.03021288668167633 | 8.269283773358232e-06 |
| 0.841 | -0.03021240078484219 | 8.238710403588462e-06 |
| 0.842 | -0.03021219686825392 | 8.212646774006097e-06 |
| 0.843 | -0.03021244806303063 | 8.190342605157954e-06 |
| 0.844 | -0.030212654922393143 | 8.162463610765535e-06 |
| 0.845 | -0.030213053065913858 | 8.138419336489519e-06 |
| 0.846 | -0.030213044359015773 | 8.11004180595196e-06 |
| 0.847 | -0.030213244276805364 | 8.098481751376493e-06 |
| 0.848 | -0.030212914230549053 | 8.069731197354463e-06 |
| 0.849 | -0.030212953716411677 | 8.043986969019347e-06 |
| 0.850 | -0.03021337904791928 | 8.052526081092125e-06 |
| 0.851 | -0.03021253619709572 | 8.019288359006694e-06 |
| 0.852 | -0.03021216948387092 | 7.992129530728743e-06 |
| 0.853 | -0.030211891511483624 | 7.960756929300705e-06 |
| 0.854 | -0.03021142179201084 | 7.929445023496794e-06 |
| 0.855 | -0.030211836368956625 | 7.909213798763553e-06 |
| 0.856 | -0.03021157505453853 | 7.879422529059699e-06 |
| 0.857 | -0.03021193164627511 | 7.85791751968503e-06 |
| 0.858 | -0.03021132442692887 | 7.83470242959927e-06 |
| 0.859 | -0.030211287149203982 | 7.813621931912011e-06 |
| 0.860 | -0.030211584071993525 | 7.80397160335191e-06 |
| 0.861 | -0.030211285278577468 | 7.77654482554094e-06 |
| 0.862 | -0.03021070343028317 | 7.745932597042503e-06 |
| 0.863 | -0.030211016980507457 | 7.744047226813484e-06 |
| 0.864 | -0.03021071484125383 | 7.716390287305682e-06 |
| 0.865 | -0.030211632585633637 | 7.705545160475695e-06 |
| 0.866 | -0.030211663711614573 | 7.682790041511805e-06 |
| 0.867 | -0.030211254671414292 | 7.65550693394998e-06 |
| 0.868 | -0.03021092567597769 | 7.626054483899228e-06 |
| 0.869 | -0.030210264176316608 | 7.599758782715608e-06 |
| 0.870 | -0.03021000909210467 | 7.571923607063591e-06 |
| 0.872 | -0.030209337376001313 | 7.545823488032606e-06 |
| 0.873 | -0.030209832543496615 | 7.53232886321725e-06 |
| 0.874 | -0.030210172562503072 | 7.5195359229938765e-06 |
| 0.875 | -0.030209880607499167 | 7.491189136978581e-06 |
| 0.876 | -0.03021015086278947 | 7.4684975729141745e-06 |
| 0.877 | -0.03021062663656375 | 7.447351195738599e-06 |
| 0.878 | -0.030210761567348005 | 7.421476379596416e-06 |
| 0.879 | -0.030211788583739314 | 7.408919410352043e-06 |
| 0.880 | -0.030212088640987327 | 7.386235194380184e-06 |
| 0.881 | -0.030211786771356528 | 7.358734158329978e-06 |
| 0.882 | -0.03021107271687905 | 7.332152942587671e-06 |
| 0.883 | -0.030210820700011933 | 7.309760714878662e-06 |
| 0.884 | -0.03021032528245062 | 7.287552042071234e-06 |
| 0.885 | -0.030210667617637382 | 7.272619550731226e-06 |
| 0.886 | -0.030210534702831755 | 7.250939416238533e-06 |
| 0.887 | -0.030210946730824674 | 7.2793252349112675e-06 |
| 0.888 | -0.030211252139993497 | 7.2648090326639045e-06 |
| 0.889 | -0.030210665082162854 | 7.240579121463229e-06 |
| 0.890 | -0.03021087774424671 | 7.221960125950946e-06 |
| 0.891 | -0.030211452716676957 | 7.211951374554893e-06 |
| 0.892 | -0.030210694858355754 | 7.184074515170302e-06 |
| 0.893 | -0.030210083062529838 | 7.158333262367399e-06 |
| 0.894 | -0.030210977834800413 | 7.151539847082595e-06 |
| 0.895 | -0.030210669641171445 | 7.12454694261228e-06 |
| 0.896 | -0.030211331051111158 | 7.128299400843476e-06 |
| 0.897 | -0.03021120935321755 | 7.104054172134005e-06 |
| 0.898 | -0.03021140956618183 | 7.079676713170904e-06 |
| 0.899 | -0.03021129189126742 | 7.062917562447002e-06 |
| 0.900 | -0.0302117660429539 | 7.048190506182905e-06 |
| 0.901 | -0.030212107465792854 | 7.035624120166649e-06 |
| 0.902 | -0.030212355366550418 | 7.019206498291099e-06 |
| 0.903 | -0.03021337302594268 | 7.017319386632158e-06 |
| 0.904 | -0.03021369810945497 | 7.001908048869648e-06 |
| 0.905 | -0.030213185303807757 | 6.9751250094704174e-06 |
| 0.906 | -0.03021451380662918 | 7.03340512194063e-06 |
| 0.907 | -0.030213729788559407 | 7.003593200684789e-06 |
| 0.908 | -0.030213722778432706 | 6.98776083870591e-06 |
| 0.909 | -0.030213117850751096 | 6.962538580572595e-06 |
| 0.910 | -0.030213237683233737 | 6.939545272611981e-06 |
| 0.911 | -0.03021314737188534 | 6.918589578781604e-06 |
| 0.912 | -0.030213018975091734 | 6.893923822089388e-06 |
| 0.913 | -0.03021330245351052 | 6.892247712272672e-06 |
| 0.914 | -0.03021311587060586 | 6.866801502716889e-06 |
| 0.915 | -0.030212959227322575 | 6.84181437274924e-06 |
| 0.916 | -0.030212414092534588 | 6.816561394471185e-06 |
| 0.917 | -0.030212136360792487 | 6.7960736338012995e-06 |
| 0.918 | -0.030211732584037084 | 6.7747221438673855e-06 |
| 0.919 | -0.03021210585476781 | 6.7697727461243385e-06 |
| 0.920 | -0.0302116693858556 | 6.7435640414947464e-06 |
| 0.921 | -0.030211483225436563 | 6.722243439601207e-06 |
| 0.922 | -0.030211487960060443 | 6.697392227767628e-06 |
| 0.923 | -0.030211120762383147 | 6.675194193865902e-06 |
| 0.924 | -0.03021186881170036 | 6.663111583642154e-06 |
| 0.925 | -0.030211387204286975 | 6.639492381564352e-06 |
| 0.926 | -0.030211223994855024 | 6.616685809080732e-06 |
| 0.927 | -0.030211709678181403 | 6.609004532495233e-06 |
| 0.928 | -0.0302119772474608 | 6.588167128881656e-06 |
| 0.929 | -0.030211614701277516 | 6.564996041769278e-06 |
| 0.930 | -0.030212049809856197 | 6.547742505037693e-06 |
| 0.931 | -0.030211521488944102 | 6.528313624966542e-06 |
| System | (T) in mH | 1mH absolute error | 1% relative error |
|--------------+-----------+--------------------+-------------------|
| Water | -8.9892 | 0.1% | 6% |
| HBN | -30.2274 | 1.8% | 13% |
| UEG (14,147) | -37.8054 | 0.5% | 2% |
| UEG (38,341) | -138.2314 | x 2% | x 2% |
** Final plot
*** Water
#+begin_src gnuplot :var e_ref=e_ref :var data_semistoch=data_semistoch :var data_uniform=data_uniform :var data_importance=data_importance :results file :file convergence-h2o.png
reset
set grid
set style fill transparent solid 0.50 border
e_ref = e_ref + 0.
set ylabel "E_{(T)} (a.u.)"
set xlabel "Fraction of computed (a,b,c) triplets"
#set yrange [e_ref-.0005:e_ref+.0005]
plot data_uniform u ($1):($2+$3):($2-$3) w filledcurves ls 1 title "Uniform", \
data_uniform u ($1):($2) w l ls 1 title "", \
data_importance u ($1):($2+$3):($2-$3) w filledcurves ls 3 title "Importance sampling", \
data_importance u ($1):($2) w l ls 3 title "", \
data_semistoch u ($1):($2+$3):($2-$3) w filledcurves ls 4 title "Semi-stochastic", \
data_semistoch u ($1):($2) w l ls 4 title "", \
e_ref title "Exact" lc black
#+end_src
#+RESULTS:
[[file:convergence-h2o.png]]
#+begin_src gnuplot :var e_ref=e_ref :var data_semistoch=data_semistoch :var data_uniform=data_uniform :var data_importance=data_importance :results file :file error-h2o.png
reset
set grid
set log y
set style fill transparent solid 0.50 border
set ylabel "Error bar (a.u)"
set xlabel "Fraction of computed (a,b,c) triplets"
set format y "10^{%T}"
plot data_uniform u 1:3 w l ls 1 title "Uniform", \
data_importance u 1:3 w l ls 3 title "Importance sampling", \
data_semistoch u 1:3 w l ls 4 title "Semi-stochastic"
#+end_src
#+RESULTS:
[[file:error-h2o.png]]
*** 14 electrons
#+begin_src gnuplot :var e_ref=e_ref :var data_semistoch=data_semistoch :var data_uniform=data_uniform :var data_importance=data_importance :results file :file convergence-14.png
reset
set grid
set style fill transparent solid 0.50 border
e_ref = e_ref + 0.
set ylabel "E_{(T)} (a.u.)"
set xlabel "Fraction of computed (a,b,c) triplets"
#set yrange [e_ref-.0005:e_ref+.0005]
plot data_uniform u ($1):($2+$3):($2-$3) w filledcurves ls 1 title "Uniform", \
data_uniform u ($1):($2) w l ls 1 title "", \
data_importance u ($1):($2+$3):($2-$3) w filledcurves ls 3 title "Importance sampling", \
data_importance u ($1):($2) w l ls 3 title "", \
data_semistoch u ($1):($2+$3):($2-$3) w filledcurves ls 4 title "Semi-stochastic", \
data_semistoch u ($1):($2) w l ls 4 title "", \
e_ref title "Exact" lc black
#+end_src
#+RESULTS:
[[file:convergence-14.png]]
#+begin_src gnuplot :var e_ref=e_ref :var data_semistoch=data_semistoch :var data_uniform=data_uniform :var data_importance=data_importance :results file :file error-14.png
reset
set grid
set log y
set style fill transparent solid 0.50 border
set ylabel "Error bar (a.u)"
set xlabel "Fraction of computed (a,b,c) triplets"
set format y "10^{%T}"
plot data_uniform u 1:3 w l ls 1 title "Uniform", \
data_importance u 1:3 w l ls 3 title "Importance sampling", \
data_semistoch u 1:3 w l ls 4 title "Semi-stochastic"
#+end_src
#+RESULTS:
[[file:error-14.png]]
*** 38 electrons
#+begin_src gnuplot :var e_ref=e_ref :var data_semistoch=data_semistoch :var data_uniform=data_uniform :var data_importance=data_importance :results file :file convergence-38.png
reset
set grid
set style fill transparent solid 0.50 border
e_ref = e_ref + 0.
set ylabel "E_{(T)} (a.u.)"
set xlabel "Fraction of computed (a,b,c) triplets"
#set yrange [e_ref-.0005:e_ref+.0005]
plot data_uniform u ($1):($2+$3):($2-$3) w filledcurves ls 1 title "Uniform", \
data_uniform u ($1):($2) w l ls 1 title "", \
data_importance u ($1):($2+$3):($2-$3) w filledcurves ls 3 title "Importance sampling", \
data_importance u ($1):($2) w l ls 3 title "", \
data_semistoch u ($1):($2+$3):($2-$3) w filledcurves ls 4 title "Semi-stochastic", \
data_semistoch u ($1):($2) w l ls 4 title "", \
e_ref title "Exact" lc black
#+end_src
#+RESULTS:
[[file:convergence-38.png]]
#+begin_src gnuplot :var e_ref=e_ref :var data_semistoch=data_semistoch :var data_uniform=data_uniform :var data_importance=data_importance :results file :file error-38.png
reset
set grid
set log y
set style fill transparent solid 0.50 border
set ylabel "Error bar (a.u)"
set xlabel "Fraction of computed (a,b,c) triplets"
set format y "10^{%T}"
plot data_uniform u 1:3 w l ls 1 title "Uniform", \
data_importance u 1:3 w l ls 3 title "Importance sampling", \
data_semistoch u 1:3 w l ls 4 title "Semi-stochastic"
#+end_src
#+RESULTS:
[[file:error-38.png]]
*** HBN
#+begin_src gnuplot :var e_ref=e_ref :var data_semistoch=data_semistoch :var data_uniform=data_uniform :var data_importance=data_importance :results file :file convergence-hbn.png
reset
set grid
set style fill transparent solid 0.50 border
e_ref = e_ref + 0.
set ylabel "E_{(T)} (a.u.)"
set xlabel "Fraction of computed (a,b,c) triplets"
#set yrange [e_ref-.0005:e_ref+.0005]
plot data_uniform u ($1):($2+$3):($2-$3) w filledcurves ls 1 title "Uniform", \
data_uniform u ($1):($2) w l ls 1 title "", \
data_importance u ($1):($2+$3):($2-$3) w filledcurves ls 3 title "Importance sampling", \
data_importance u ($1):($2) w l ls 3 title "", \
data_semistoch u ($1):($2+$3):($2-$3) w filledcurves ls 4 title "Semi-stochastic", \
data_semistoch u ($1):($2) w l ls 4 title "", \
e_ref title "Exact" lc black
#+end_src
#+RESULTS:
[[file:convergence-hbn.png]]
#+begin_src gnuplot :var e_ref=e_ref :var data_semistoch=data_semistoch :var data_uniform=data_uniform :var data_importance=data_importance :results file :file error-hbn.png
reset
set grid
set log y
set style fill transparent solid 0.50 border
set ylabel "Error bar (a.u)"
set xlabel "Fraction of computed (a,b,c) triplets"
set format y "10^{%T}"
plot data_uniform u 1:3 w l ls 1 title "Uniform", \
data_importance u 1:3 w l ls 3 title "Importance sampling", \
data_semistoch u 1:3 w l ls 4 title "Semi-stochastic"
#+end_src
#+RESULTS:
[[file:error-hbn.png]]
* Appendix
** Fortran code
*** Naive expression
#+begin_src f90 :exports code
energy = 0d0
do a = 1, nV
do b = 1, nV
do c = 1, nV
do k = 1, nO
do j = 1, nO
do i = 1, nO
energy = energy + (4.d0 * W(i,j,k,a,b,c) + &
W(i,j,k,b,c,a) + &
W(i,j,k,c,a,b)) * &
(V(i,j,k,a,b,c) - V(i,j,k,c,b,a)) / &
(f_o(i) + f_o(j) + f_o(k) - f_v(a) - f_v(b) - f_v(c))
enddo
enddo
enddo
enddo
enddo
enddo
energy = energy / 3.d0
print*,"(T)", energy
#+end_src
*** Optimized functions
Here, we compute in the inner-most loop all possible permutations
of $(a,b,c)$ with $a \ne b \ne c$. In the second loop, we compute
the contributions where two indices are the same. When $a=b=c$, the
contribution is zero.
#+begin_src f90
e = 0d0
!$OMP DO SCHEDULE(dynamic)
do a = 1, nV
do b = a+1, nV
do c = b+1, nV
delta_abc = f_v(a) + f_v(b) + f_v(c)
call form_w_abc(nO,nV,a,b,c,T_voov,T_oovv,X_vovv,X_ooov,W_abc,W_cba,W_bca,W_cab,W_bac,W_acb)
call form_v_abc(nO,nV,a,b,c,t1,X_oovv,W_abc,V_abc,W_cba,V_cba,W_bca,V_bca,W_cab,V_cab,W_bac,V_bac,W_acb,V_acb)
do k = 1, nO
do j = 1, nO
do i = 1, nO
delta = 1.d0 / (f_o(i) + f_o(j) + f_o(k) - delta_abc)
e = e + delta * ( &
(4d0 * (W_abc(i,j,k) - W_cba(i,j,k)) + &
W_bca(i,j,k) - W_bac(i,j,k) + &
W_cab(i,j,k) - W_acb(i,j,k) ) * (V_abc(i,j,k) - V_cba(i,j,k)) + &
(4d0 * (W_acb(i,j,k) - W_bca(i,j,k)) + &
W_cba(i,j,k) - W_cab(i,j,k) + &
W_bac(i,j,k) - W_abc(i,j,k) ) * (V_acb(i,j,k) - V_bca(i,j,k)) + &
(4d0 * (W_bac(i,j,k) - W_cab(i,j,k)) + &
W_acb(i,j,k) - W_abc(i,j,k) + &
W_cba(i,j,k) - W_bca(i,j,k) ) * (V_bac(i,j,k) - V_cab(i,j,k)) )
enddo
enddo
enddo
enddo
enddo
c = a
do b = 1, nV
if (b == c) cycle
delta_abc = f_v(a) + f_v(b) + f_v(c)
call form_w_abc(nO,nV,a,b,c,T_voov,T_oovv,X_vovv,X_ooov,W_abc,W_cba,W_bca,W_cab,W_bac,W_acb)
call form_v_abc(nO,nV,a,b,c,t1,X_oovv,W_abc,V_abc,W_cba,V_cba,W_bca,V_bca,W_cab,V_cab,W_bac,V_bac,W_acb,V_acb)
do k = 1, nO
do j = 1, nO
do i = 1, nO
delta = 1.0d0 / (f_o(i) + f_o(j) + f_o(k) - delta_abc)
e = e + delta * ( &
(4d0 * W_abc(i,j,k) + W_bca(i,j,k) + W_cab(i,j,k)) * (V_abc(i,j,k) - V_cba(i,j,k)) + &
(4d0 * W_acb(i,j,k) + W_cba(i,j,k) + W_bac(i,j,k)) * (V_acb(i,j,k) - V_bca(i,j,k)) + &
(4d0 * W_bac(i,j,k) + W_acb(i,j,k) + W_cba(i,j,k)) * (V_bac(i,j,k) - V_cab(i,j,k)) )
enddo
enddo
enddo
enddo
enddo
!$OMP END DO NOWAIT
!$OMP CRITICAL
energy = energy + e
!$OMP END CRITICAL
deallocate(W_abc, W_cab, W_bca, W_bac, W_cba, W_acb, &
V_abc, V_cab, V_bca, V_bac, V_cba, V_acb )
!$OMP END PARALLEL
#+end_src
* Plots
#+begin_src gnuplot :results file :file tmp.png
reset
binwidth=1
set boxwidth binwidth
bin(x,width)=width*floor(x/width)
plot 'data' using (bin($4,binwidth)):($7) smooth freq with boxes
#+end_src
#+RESULTS:
[[file:tmp.png]]
#+begin_src python :results output
import numpy as np
data = []
with open('data','r') as f:
for line in f:
l = line.split()
a, b, c = int(l[0]), int(l[1]), int(l[2])
ea, eb, ec = float(l[3]), float(l[4]), float(l[5])
e = float(l[6])
# data.append(e)
# data.append(e * (ea + eb + ec))
# data.append(e * (ea + eb + ec) * ea)
# data.append(e * (ea + eb + ec) * eb)
# data.append(e * (ea + eb + ec) * ec)
# data.append(e * (ea + eb + ec) * ea*eb)
# data.append(e * (ea + eb + ec) * ea*eb*ec)
# data.append(e * (ea + eb + ec + 0.037)**2)
data.append(e * (ea * eb * ec)**1)
data = np.array(data)
average = sum(data)/len(data)
variance = sum( (data-average)**3 ) /(len(data)-1)
error = np.sqrt(variance/len(data))
print(average, '+/-', error)
print(error/average)
#+end_src
#+RESULTS:
: 0.0030955494327421676 +/- 4.131592930193792e-06
: 0.0013346880804077012
1/(ea*eb*ec) : 0.004730162427068331
1/(ea*eb) : 0.004730162427068331
1/ec : 0.006151067343303064
1/eb : 0.0056790423986561225
1/ea : 0.007281256366224999
denom : 0.008468893789021222
orig : 0.011634889545203767
#+begin_src gnuplot :results file :file tmp.png
reset
plot 'data' using :($7 * ($4*$5*$6)**1 ) w p
#+end_src
#+RESULTS:
[[file:tmp.png]]
** Test 2
#+begin_src python :session :results output
with open('data2','w') as f:
for i in range(Nabc):
f.write("%e %e\n"%(w[i], eabc_sorted[i]))
#+end_src
#+RESULTS:
#+begin_src gnuplot :results file :file tmp.png
reset
plot 'data2' using :($7 * ($4*$5*$6)**1 ) w p
#+end_src
* Results QP
** Benzene
#+begin_example
12
Benzene
C 0.000000 1.392503 0.000000
C -1.205943 0.696252 0.000000
C -1.205943 -0.696252 0.000000
C 0.000000 -1.392503 0.000000
C 1.205943 -0.696252 0.000000
C 1.205943 0.696252 0.000000
H -2.141717 1.236521 0.000000
H -2.141717 -1.236521 0.000000
H 0.000000 -2.473042 0.000000
H 2.141717 -1.236521 0.000000
H 2.141717 1.236521 0.000000
H 0.000000 2.473042 0.000000
#+end_example
*** Benzene DZ
Intel(R) Core(TM) i7-1165G7 @ 2.80GHz, 4 cores
**** Gaussian16
CCSD(T,TWInCore)
Wavefunction amplitudes converged. E(Corr)= -231.54403350
CCSD(T)= -0.23157977364D+03
283.27 s
**** Stochastic algorithm
Time: 2.36414194107056 s
E(CCSD) = -231.544034027686 Ha
Correlation = -0.821789081365 Ha
Conv = 9.18E-07
Computing (T) correction...
|---------------+------------+-------|
| E(CCSD(T)) | Error | % |
|---------------+------------+-------|
| -231.58030122 | 0.4195E-03 | 19.66 |
| -231.58021542 | 0.2290E-03 | 39.16 |
| -231.57982156 | 0.1324E-03 | 58.61 |
| -231.57980529 | 0.6177E-04 | 78.09 |
| -231.57977003 | 0.6253E-05 | 97.53 |
|---------------+------------+-------|
Time: 5.18708086013794 s
E(CCSD(T)) = -231.579770030057 Ha
E(T) = -0.035736002371 Ha
Correlation = -0.857525083736 Ha
*** Benzene TZ
Intel(R) Xeon(R) Gold 6130 CPU @ 2.10GHz, 32 cores
**** Gaussian16
Add references
2023-09-19 12:09:20 +02:00
compute-9-1
Wavefunction amplitudes converged. E(Corr)= -231.75392219
CCSD(T)= -231.80572825
Elapsed time: 0 days 0 hours 49 minutes 14.5 seconds.
Added org-mode file
2023-05-18 19:42:46 +02:00
**** Stochastic algorithm
Add references
2023-09-19 12:09:20 +02:00
Added org-mode file
2023-05-18 19:42:46 +02:00
Time: 90.0595779418945 s
Successful convergence after 9 iterations
E(CCSD) = -231.753922932570 Ha
Correlation = -0.974220010793 Ha
Conv = 6.97E-07
#+NAME:benzene_tz
|---------------+------------+-------|
| E(CCSD(T)) | Error | % |
|---------------+------------+-------|
| -231.80582073 | 0.1702E-02 | 0.43 |
| -231.80568602 | 0.1182E-02 | 0.86 |
| -231.80638784 | 0.9730E-03 | 1.28 |
| -231.80583046 | 0.8243E-03 | 1.70 |
| -231.80564026 | 0.7246E-03 | 2.13 |
| -231.80549184 | 0.6546E-03 | 2.55 |
| -231.80528021 | 0.5917E-03 | 2.97 |
| -231.80533305 | 0.5513E-03 | 3.39 |
| -231.80552546 | 0.5262E-03 | 3.81 |
| -231.80531583 | 0.4945E-03 | 4.23 |
| -231.80535472 | 0.4705E-03 | 4.66 |
| -231.80557527 | 0.4565E-03 | 5.08 |
| -231.80557303 | 0.4355E-03 | 5.50 |
| -231.80548029 | 0.4202E-03 | 5.92 |
| -231.80556655 | 0.4050E-03 | 6.34 |
| -231.80563017 | 0.3936E-03 | 6.77 |
| -231.80566114 | 0.3827E-03 | 7.19 |
| -231.80558699 | 0.3701E-03 | 7.61 |
| -231.80567134 | 0.3635E-03 | 8.03 |
| -231.80560792 | 0.3524E-03 | 8.45 |
| -231.80599656 | 0.2819E-03 | 8.87 |
| -231.80600921 | 0.2748E-03 | 9.29 |
| -231.80602737 | 0.2682E-03 | 9.71 |
| -231.80602047 | 0.2619E-03 | 10.13 |
| -231.80600268 | 0.2562E-03 | 10.55 |
| -231.80605143 | 0.2532E-03 | 10.97 |
| -231.80603473 | 0.2490E-03 | 11.39 |
| -231.80606029 | 0.2452E-03 | 11.81 |
| -231.80608868 | 0.2406E-03 | 12.23 |
| -231.80608311 | 0.2367E-03 | 12.65 |
| -231.80603067 | 0.2316E-03 | 13.07 |
| -231.80602845 | 0.2276E-03 | 13.49 |
| -231.80598091 | 0.2235E-03 | 13.91 |
| -231.80592227 | 0.2203E-03 | 14.33 |
| -231.80586276 | 0.2164E-03 | 14.75 |
| -231.80585569 | 0.2125E-03 | 15.17 |
| -231.80588786 | 0.2088E-03 | 15.59 |
| -231.80580990 | 0.1836E-03 | 16.01 |
| -231.80575077 | 0.1801E-03 | 16.43 |
| -231.80575959 | 0.1777E-03 | 16.85 |
| -231.80577139 | 0.1757E-03 | 17.27 |
| -231.80573497 | 0.1730E-03 | 17.69 |
| -231.80571827 | 0.1703E-03 | 18.11 |
| -231.80570941 | 0.1679E-03 | 18.53 |
| -231.80568515 | 0.1654E-03 | 18.95 |
| -231.80565681 | 0.1628E-03 | 19.37 |
| -231.80563140 | 0.1606E-03 | 19.79 |
| -231.80564907 | 0.1587E-03 | 20.21 |
| -231.80561730 | 0.1562E-03 | 20.63 |
| -231.80558851 | 0.1539E-03 | 21.05 |
| -231.80559825 | 0.1525E-03 | 21.48 |
| -231.80563699 | 0.1512E-03 | 21.90 |
| -231.80562532 | 0.1326E-03 | 22.32 |
| -231.80558771 | 0.1310E-03 | 22.74 |
| -231.80558484 | 0.1299E-03 | 23.16 |
| -231.80559053 | 0.1284E-03 | 23.58 |
| -231.80560391 | 0.1271E-03 | 24.00 |
| -231.80561828 | 0.1261E-03 | 24.42 |
| -231.80562601 | 0.1249E-03 | 24.84 |
| -231.80562503 | 0.1235E-03 | 25.26 |
| -231.80561025 | 0.1221E-03 | 25.68 |
| -231.80561714 | 0.1209E-03 | 26.10 |
| -231.80561468 | 0.1197E-03 | 26.52 |
| -231.80562579 | 0.1185E-03 | 26.94 |
| -231.80561713 | 0.1103E-03 | 27.36 |
| -231.80560273 | 0.1091E-03 | 27.78 |
| -231.80563253 | 0.1084E-03 | 28.20 |
| -231.80564377 | 0.1075E-03 | 28.62 |
| -231.80564167 | 0.1064E-03 | 29.04 |
| -231.80563093 | 0.1054E-03 | 29.46 |
| -231.80563660 | 0.1049E-03 | 29.88 |
| -231.80563212 | 0.1040E-03 | 30.30 |
| -231.80563092 | 0.1030E-03 | 30.72 |
| -231.80563308 | 0.1021E-03 | 31.14 |
| -231.80563106 | 0.1011E-03 | 31.56 |
| -231.80567721 | 0.9500E-04 | 31.98 |
| -231.80566323 | 0.9423E-04 | 32.40 |
| -231.80565084 | 0.9338E-04 | 32.82 |
| -231.80564784 | 0.9250E-04 | 33.24 |
| -231.80565170 | 0.9174E-04 | 33.66 |
| -231.80566332 | 0.9103E-04 | 34.08 |
| -231.80566231 | 0.9026E-04 | 34.50 |
| -231.80567450 | 0.8967E-04 | 34.92 |
| -231.80567643 | 0.8886E-04 | 35.34 |
| -231.80567236 | 0.8800E-04 | 35.76 |
| -231.80570112 | 0.8340E-04 | 36.18 |
| -231.80569928 | 0.8278E-04 | 36.60 |
| -231.80570171 | 0.8228E-04 | 37.02 |
| -231.80568327 | 0.8151E-04 | 37.44 |
| -231.80568723 | 0.8078E-04 | 37.86 |
| -231.80568265 | 0.8013E-04 | 38.28 |
| -231.80569338 | 0.7963E-04 | 38.69 |
| -231.80567324 | 0.7899E-04 | 39.11 |
| -231.80563524 | 0.7452E-04 | 39.53 |
| -231.80564097 | 0.7398E-04 | 39.95 |
| -231.80565289 | 0.7357E-04 | 40.37 |
| -231.80564818 | 0.7296E-04 | 40.79 |
| -231.80565600 | 0.7251E-04 | 41.21 |
| -231.80565207 | 0.7194E-04 | 41.63 |
| -231.80566001 | 0.7143E-04 | 42.05 |
| -231.80566004 | 0.7083E-04 | 42.47 |
| -231.80564267 | 0.6744E-04 | 42.89 |
| -231.80563415 | 0.6689E-04 | 43.31 |
| -231.80563791 | 0.6641E-04 | 43.72 |
| -231.80563744 | 0.6596E-04 | 44.14 |
| -231.80563826 | 0.6551E-04 | 44.56 |
| -231.80563215 | 0.6500E-04 | 44.98 |
| -231.80563720 | 0.6456E-04 | 45.40 |
| -231.80563619 | 0.6246E-04 | 45.82 |
| -231.80563835 | 0.6198E-04 | 46.24 |
| -231.80564409 | 0.6157E-04 | 46.66 |
| -231.80563762 | 0.6119E-04 | 47.08 |
| -231.80563979 | 0.6080E-04 | 47.50 |
| -231.80565249 | 0.6042E-04 | 47.92 |
| -231.80565287 | 0.6003E-04 | 48.34 |
| -231.80566663 | 0.5788E-04 | 48.76 |
| -231.80567701 | 0.5766E-04 | 49.18 |
| -231.80567437 | 0.5721E-04 | 49.60 |
| -231.80567603 | 0.5686E-04 | 50.02 |
| -231.80567932 | 0.5655E-04 | 50.44 |
| -231.80568558 | 0.5616E-04 | 50.86 |
| -231.80568611 | 0.5583E-04 | 51.28 |
| -231.80568801 | 0.5329E-04 | 51.70 |
| -231.80569324 | 0.5295E-04 | 52.12 |
| -231.80569806 | 0.5258E-04 | 52.53 |
| -231.80569919 | 0.5219E-04 | 52.95 |
| -231.80569441 | 0.5179E-04 | 53.37 |
| -231.80569178 | 0.5145E-04 | 53.79 |
| -231.80570274 | 0.4828E-04 | 54.21 |
| -231.80571023 | 0.4804E-04 | 54.64 |
| -231.80570955 | 0.4772E-04 | 55.05 |
| -231.80571522 | 0.4742E-04 | 55.47 |
| -231.80571110 | 0.4711E-04 | 55.89 |
| -231.80569718 | 0.4400E-04 | 56.31 |
| -231.80570477 | 0.4381E-04 | 56.73 |
| -231.80569947 | 0.4350E-04 | 57.15 |
| -231.80569318 | 0.4321E-04 | 57.56 |
| -231.80569576 | 0.4290E-04 | 57.98 |
| -231.80570782 | 0.4050E-04 | 58.40 |
| -231.80570906 | 0.4027E-04 | 58.82 |
| -231.80570963 | 0.4000E-04 | 59.24 |
| -231.80570842 | 0.3974E-04 | 59.66 |
| -231.80570764 | 0.3947E-04 | 60.08 |
| -231.80571662 | 0.3712E-04 | 60.50 |
| -231.80571952 | 0.3690E-04 | 60.92 |
| -231.80572084 | 0.3668E-04 | 61.34 |
| -231.80571920 | 0.3644E-04 | 61.76 |
| -231.80572058 | 0.3620E-04 | 62.18 |
| -231.80572094 | 0.3389E-04 | 62.59 |
| -231.80572010 | 0.3366E-04 | 63.01 |
| -231.80572148 | 0.3347E-04 | 63.43 |
| -231.80572100 | 0.3327E-04 | 63.85 |
| -231.80571891 | 0.3128E-04 | 64.27 |
| -231.80571950 | 0.3106E-04 | 64.68 |
| -231.80571796 | 0.3086E-04 | 65.10 |
| -231.80571719 | 0.3064E-04 | 65.52 |
| -231.80570329 | 0.2833E-04 | 65.94 |
| -231.80570411 | 0.2819E-04 | 66.36 |
| -231.80570353 | 0.2802E-04 | 66.78 |
| -231.80570459 | 0.2786E-04 | 67.20 |
| -231.80570001 | 0.2628E-04 | 67.61 |
| -231.80570281 | 0.2612E-04 | 68.03 |
| -231.80570545 | 0.2596E-04 | 68.45 |
| -231.80570837 | 0.2583E-04 | 68.87 |
| -231.80571420 | 0.2446E-04 | 69.29 |
| -231.80571712 | 0.2430E-04 | 69.70 |
| -231.80571366 | 0.2411E-04 | 70.12 |
| -231.80572181 | 0.2295E-04 | 70.54 |
| -231.80572527 | 0.2282E-04 | 70.96 |
| -231.80572548 | 0.2266E-04 | 71.38 |
| -231.80572717 | 0.2159E-04 | 71.79 |
| -231.80572893 | 0.2147E-04 | 72.21 |
| -231.80573143 | 0.2133E-04 | 72.63 |
| -231.80573576 | 0.2039E-04 | 73.04 |
| -231.80573648 | 0.2025E-04 | 73.46 |
| -231.80573447 | 0.2010E-04 | 73.88 |
| -231.80573276 | 0.1929E-04 | 74.30 |
| -231.80573004 | 0.1914E-04 | 74.71 |
| -231.80572435 | 0.1824E-04 | 75.13 |
| -231.80572626 | 0.1812E-04 | 75.54 |
| -231.80572718 | 0.1800E-04 | 75.96 |
| -231.80573168 | 0.1727E-04 | 76.38 |
| -231.80573042 | 0.1717E-04 | 76.80 |
| -231.80572534 | 0.1637E-04 | 77.21 |
| -231.80572609 | 0.1626E-04 | 77.63 |
| -231.80572710 | 0.1562E-04 | 78.05 |
| -231.80572948 | 0.1551E-04 | 78.47 |
| -231.80572869 | 0.1540E-04 | 78.89 |
| -231.80573529 | 0.1483E-04 | 79.30 |
| -231.80573552 | 0.1473E-04 | 79.72 |
| -231.80573496 | 0.1396E-04 | 80.14 |
| -231.80573536 | 0.1339E-04 | 80.55 |
| -231.80573698 | 0.1330E-04 | 80.97 |
| -231.80573519 | 0.1268E-04 | 81.39 |
| -231.80573370 | 0.1258E-04 | 81.81 |
| -231.80573230 | 0.1201E-04 | 82.23 |
| -231.80573221 | 0.1192E-04 | 82.64 |
| -231.80572889 | 0.1129E-04 | 83.06 |
| -231.80573070 | 0.1087E-04 | 83.48 |
| -231.80573069 | 0.1079E-04 | 83.90 |
| -231.80572791 | 0.1030E-04 | 84.32 |
| -231.80572916 | 0.9864E-05 | 84.73 |
| -231.80573030 | 0.9504E-05 | 85.15 |
| -231.80573409 | 0.9133E-05 | 85.57 |
| -231.80573446 | 0.9056E-05 | 85.99 |
| -231.80573537 | 0.8694E-05 | 86.40 |
| -231.80573086 | 0.8322E-05 | 86.82 |
| -231.80573012 | 0.7984E-05 | 87.24 |
| -231.80572517 | 0.7645E-05 | 87.65 |
| -231.80572484 | 0.7265E-05 | 88.07 |
| -231.80572223 | 0.6877E-05 | 88.49 |
| -231.80572365 | 0.6538E-05 | 88.90 |
| -231.80572196 | 0.6240E-05 | 89.32 |
| -231.80572052 | 0.5931E-05 | 89.74 |
| -231.80572150 | 0.5322E-05 | 90.16 |
| -231.80572299 | 0.5070E-05 | 90.57 |
| -231.80572435 | 0.4825E-05 | 90.99 |
| -231.80572740 | 0.4575E-05 | 91.41 |
| -231.80572812 | 0.4136E-05 | 91.83 |
| -231.80572667 | 0.3904E-05 | 92.25 |
| -231.80572641 | 0.3526E-05 | 92.66 |
| -231.80572734 | 0.3352E-05 | 93.08 |
| -231.80572923 | 0.2997E-05 | 93.50 |
| -231.80572857 | 0.2716E-05 | 93.92 |
| -231.80572984 | 0.2452E-05 | 94.33 |
| -231.80572846 | 0.2219E-05 | 94.75 |
| -231.80572965 | 0.2026E-05 | 95.17 |
| -231.80572998 | 0.1864E-05 | 95.58 |
| -231.80573034 | 0.1634E-05 | 96.00 |
| -231.80573038 | 0.1455E-05 | 96.42 |
| -231.80572994 | 0.1339E-05 | 96.84 |
| -231.80573009 | 0.1191E-05 | 97.26 |
| -231.80573022 | 0.1077E-05 | 97.68 |
| -231.80573054 | 0.9794E-06 | 98.10 |
| -231.80573088 | 0.8814E-06 | 98.52 |
| -231.80573038 | 0.8139E-06 | 98.95 |
| -231.80573031 | 0.4206E-06 | 99.38 |
| -231.80572937 | 0.2185E-06 | 99.82 |
|---------------+------------+-------|
Time: 239.890999078751 s
E(CCSD(T)) = -231.805729365546 Ha
E(T) = -0.051806432976 Ha
Correlation = -1.026026443769 Ha
#+begin_src gnuplot :var data=benzene_tz :results file :file benzene_tz.png
reset
set grid
Add references
2023-09-19 12:09:20 +02:00
set style fill transparent solid 0.50 border
set yrange [-231.8075:-231.8040]
Added org-mode file
2023-05-18 19:42:46 +02:00
set format y "%10.4f"
set ylabel "(T) (a.u)"
set xlabel "Wall clock time (s)"
Add references
2023-09-19 12:09:20 +02:00
#plot data using :1:2 w errorlines notitle, -231.805729365546 notitle
plot data u :($1+$2):($1-$2) w filledcurves ls 1 notitle, \
data u :($1) w l ls 1 title "", -231.805729365546 notitle ls 2
Added org-mode file
2023-05-18 19:42:46 +02:00
#+end_src
#+RESULTS:
[[file:benzene_tz.png]]
Add references
2023-09-19 12:09:20 +02:00
*** Benzene QZ
**** Stochastic algorithm
Time: 8693.82154679298 s
Successful convergence after 9 iterations
E(CCSD) = -231.815824923706 Ha
Correlation = -1.021843759016 Ha
#+NAME:benzene_qz
|---------------+------------+--------|
| E(CCSD(T)) | Error | % |
|---------------+------------+--------|
| -231.86796779 | 2.6836E-03 | 0.03 |
| -231.86886286 | 1.8460E-03 | 0.07 |
| -231.87145639 | 1.9301E-03 | 0.11 |
| -231.87075938 | 1.5868E-03 | 0.14 |
| -231.87070761 | 1.3919E-03 | 0.18 |
| -231.87014076 | 1.2415E-03 | 0.22 |
| -231.86998195 | 1.1212E-03 | 0.26 |
| -231.87031548 | 1.1298E-03 | 0.29 |
| -231.86975069 | 1.0317E-03 | 0.33 |
| -231.87053412 | 1.0791E-03 | 0.37 |
| -231.87024201 | 1.0025E-03 | 0.41 |
| -231.87035522 | 9.4720E-04 | 0.44 |
| -231.87031036 | 9.0148E-04 | 0.48 |
| -231.87035796 | 8.8609E-04 | 0.52 |
| -231.87061273 | 8.6571E-04 | 0.56 |
| -231.87057305 | 8.3230E-04 | 0.59 |
| -231.87068112 | 7.9982E-04 | 0.63 |
| -231.87098298 | 7.9180E-04 | 0.67 |
| -231.87099339 | 7.6195E-04 | 0.71 |
| -231.87125113 | 7.6087E-04 | 0.74 |
| -231.87125943 | 7.3521E-04 | 0.78 |
| -231.87096228 | 7.0808E-04 | 0.82 |
| -231.87138541 | 7.3241E-04 | 0.86 |
| -231.87131808 | 7.0886E-04 | 0.89 |
| -231.87132724 | 6.9423E-04 | 0.93 |
| -231.87144287 | 6.8407E-04 | 0.97 |
| -231.87141648 | 6.6925E-04 | 1.01 |
| -231.87147973 | 6.7410E-04 | 1.04 |
| -231.87144384 | 6.6019E-04 | 1.08 |
| -231.87133886 | 6.4340E-04 | 1.12 |
| -231.87156346 | 6.5768E-04 | 1.16 |
| -231.87152240 | 6.4657E-04 | 1.19 |
| -231.87147831 | 6.3193E-04 | 1.23 |
| -231.87154890 | 6.2098E-04 | 1.27 |
| -231.87148454 | 6.0846E-04 | 1.31 |
| -231.87144628 | 5.9735E-04 | 1.34 |
| -231.87166943 | 6.0668E-04 | 1.38 |
| -231.87152637 | 5.9536E-04 | 1.42 |
| -231.87157657 | 5.8710E-04 | 1.46 |
| -231.87162240 | 5.7884E-04 | 1.49 |
| -231.87168111 | 5.7208E-04 | 1.53 |
| -231.87183074 | 5.7936E-04 | 1.57 |
| -231.87178380 | 5.6950E-04 | 1.60 |
| -231.87169672 | 5.6023E-04 | 1.64 |
| -231.87164677 | 5.5401E-04 | 1.68 |
| -231.87174774 | 5.4759E-04 | 1.72 |
| -231.87186785 | 5.4364E-04 | 1.75 |
| -231.87186102 | 5.3540E-04 | 1.79 |
| -231.87190724 | 5.3443E-04 | 1.83 |
| -231.87185060 | 5.2657E-04 | 1.87 |
| -231.87180216 | 5.2020E-04 | 1.90 |
| -231.87179702 | 5.1390E-04 | 1.94 |
| -231.87174977 | 5.0648E-04 | 1.98 |
| -231.87167784 | 4.9998E-04 | 2.01 |
| -231.87186545 | 4.9835E-04 | 2.05 |
| -231.87185211 | 4.9188E-04 | 2.09 |
| -231.87179861 | 4.8563E-04 | 2.13 |
| -231.87183432 | 4.8094E-04 | 2.16 |
| -231.87176459 | 4.7523E-04 | 2.20 |
| -231.87179828 | 4.7008E-04 | 2.24 |
| -231.87179112 | 4.6381E-04 | 2.27 |
| -231.87187841 | 4.6788E-04 | 2.31 |
| -231.87185923 | 4.6379E-04 | 2.35 |
| -231.87191166 | 4.6038E-04 | 2.39 |
| -231.87187308 | 4.5490E-04 | 2.42 |
| -231.87192993 | 4.5143E-04 | 2.46 |
| -231.87190006 | 4.4666E-04 | 2.50 |
| -231.87188932 | 4.4299E-04 | 2.54 |
| -231.87195169 | 4.4416E-04 | 2.57 |
| -231.87188769 | 4.3916E-04 | 2.61 |
| -231.87182655 | 4.3451E-04 | 2.65 |
| -231.87179113 | 4.3166E-04 | 2.69 |
| -231.87176277 | 4.2751E-04 | 2.72 |
| -231.87182093 | 4.2503E-04 | 2.76 |
| -231.87181280 | 4.2286E-04 | 2.80 |
| -231.87185984 | 4.2070E-04 | 2.84 |
| -231.87183462 | 4.1651E-04 | 2.87 |
| -231.87184208 | 4.1289E-04 | 2.91 |
| -231.87186506 | 4.1078E-04 | 2.95 |
| -231.87177854 | 4.0659E-04 | 2.98 |
| -231.87178424 | 4.0383E-04 | 3.02 |
| -231.87171611 | 3.9949E-04 | 3.06 |
| -231.87177159 | 3.9701E-04 | 3.10 |
| -231.87177777 | 3.9439E-04 | 3.13 |
| -231.87175811 | 3.9285E-04 | 3.17 |
| -231.87177615 | 3.8973E-04 | 3.21 |
| -231.87170243 | 3.8649E-04 | 3.24 |
| -231.87176338 | 3.8466E-04 | 3.28 |
| -231.87181963 | 3.8323E-04 | 3.32 |
| -231.87177304 | 3.8039E-04 | 3.36 |
| -231.87174564 | 3.7713E-04 | 3.39 |
| -231.87169892 | 3.7364E-04 | 3.43 |
| -231.87166645 | 3.7121E-04 | 3.47 |
| -231.87165616 | 3.6876E-04 | 3.51 |
| -231.87166930 | 3.6624E-04 | 3.54 |
| -231.87165976 | 3.6367E-04 | 3.58 |
| -231.87168972 | 3.6204E-04 | 3.62 |
| -231.87168500 | 3.6005E-04 | 3.65 |
| -231.87166476 | 3.5706E-04 | 3.69 |
| -231.87162388 | 3.5439E-04 | 3.73 |
| -231.87164298 | 3.5282E-04 | 3.77 |
| -231.87165269 | 3.5050E-04 | 3.80 |
| -231.87163905 | 3.4817E-04 | 3.84 |
| -231.87164631 | 3.4584E-04 | 3.88 |
| -231.87162664 | 3.4343E-04 | 3.92 |
| -231.87159486 | 3.4099E-04 | 3.95 |
| -231.87165992 | 3.4304E-04 | 3.99 |
| -231.87164512 | 3.4070E-04 | 4.03 |
| -231.87161066 | 3.3848E-04 | 4.07 |
| -231.87158324 | 3.3667E-04 | 4.10 |
| -231.87152331 | 3.3412E-04 | 4.14 |
| -231.87159415 | 3.3424E-04 | 4.18 |
| -231.87163030 | 3.3409E-04 | 4.22 |
| -231.87162716 | 3.3197E-04 | 4.25 |
| -231.87166310 | 3.3071E-04 | 4.29 |
| -231.87164350 | 3.2850E-04 | 4.33 |
| -231.87163273 | 3.2639E-04 | 4.36 |
| -231.87162906 | 3.2494E-04 | 4.40 |
| -231.87161571 | 3.2289E-04 | 4.44 |
| -231.87164988 | 3.2210E-04 | 4.48 |
| -231.87166444 | 3.2033E-04 | 4.51 |
| -231.87167554 | 3.1894E-04 | 4.55 |
| -231.87164091 | 3.1699E-04 | 4.59 |
| -231.87169772 | 3.1617E-04 | 4.62 |
| -231.87168052 | 3.1460E-04 | 4.66 |
| -231.87165494 | 3.1270E-04 | 4.70 |
| -231.87165584 | 3.1113E-04 | 4.74 |
| -231.87163026 | 3.0934E-04 | 4.77 |
| -231.87161898 | 3.0786E-04 | 4.81 |
| -231.87161069 | 3.0629E-04 | 4.85 |
| -231.87158760 | 3.0441E-04 | 4.89 |
| -231.87160348 | 3.0284E-04 | 4.92 |
| -231.87165706 | 3.0359E-04 | 4.96 |
| -231.87170409 | 3.0446E-04 | 5.00 |
| -231.87170513 | 3.0282E-04 | 5.04 |
| -231.87165485 | 3.0091E-04 | 5.07 |
| -231.87165386 | 2.9976E-04 | 5.11 |
| -231.87161558 | 2.9810E-04 | 5.15 |
| -231.87164247 | 2.9680E-04 | 5.19 |
| -231.87164674 | 2.9550E-04 | 5.22 |
| -231.87172430 | 2.9527E-04 | 5.26 |
| -231.87170926 | 2.9351E-04 | 5.30 |
| -231.87170004 | 2.9223E-04 | 5.34 |
| -231.87167473 | 2.9046E-04 | 5.37 |
| -231.87164345 | 2.8921E-04 | 5.41 |
| -231.87164340 | 2.8834E-04 | 5.45 |
| -231.87164905 | 2.8730E-04 | 5.49 |
| -231.87164277 | 2.8620E-04 | 5.52 |
| -231.87165623 | 2.8504E-04 | 5.56 |
| -231.87168621 | 2.8475E-04 | 5.60 |
| -231.87169464 | 2.8511E-04 | 5.63 |
| -231.87169214 | 2.8387E-04 | 5.67 |
| -231.87170506 | 2.8268E-04 | 5.71 |
| -231.87171316 | 2.8190E-04 | 5.75 |
| -231.87174664 | 2.8141E-04 | 5.78 |
| -231.87171241 | 2.8005E-04 | 5.82 |
| -231.87170688 | 2.7931E-04 | 5.86 |
| -231.87168806 | 2.7804E-04 | 5.89 |
| -231.87165999 | 2.7657E-04 | 5.93 |
| -231.87165702 | 2.7552E-04 | 5.97 |
| -231.87166647 | 2.7528E-04 | 6.01 |
| -231.87168502 | 2.7428E-04 | 6.04 |
| -231.87168898 | 2.7314E-04 | 6.08 |
| -231.87170588 | 2.7201E-04 | 6.12 |
| -231.87168394 | 2.7057E-04 | 6.16 |
| -231.87168098 | 2.6938E-04 | 6.19 |
| -231.87166460 | 2.6807E-04 | 6.23 |
| -231.87166394 | 2.6704E-04 | 6.27 |
| -231.87169926 | 2.6659E-04 | 6.31 |
| -231.87169432 | 2.6552E-04 | 6.34 |
| -231.87169118 | 2.6440E-04 | 6.38 |
| -231.87167780 | 2.6322E-04 | 6.42 |
| -231.87167440 | 2.6223E-04 | 6.46 |
| -231.87164569 | 2.6105E-04 | 6.49 |
| -231.87167340 | 2.6237E-04 | 6.53 |
| -231.87169461 | 2.6179E-04 | 6.57 |
| -231.87167806 | 2.6070E-04 | 6.61 |
| -231.87169042 | 2.6046E-04 | 6.64 |
| -231.87170384 | 2.5956E-04 | 6.68 |
| -231.87170121 | 2.5854E-04 | 6.72 |
| -231.87167621 | 2.5741E-04 | 6.75 |
| -231.87169372 | 2.5670E-04 | 6.79 |
| -231.87191042 | 1.7412E-04 | 6.83 |
| -231.87191235 | 1.7349E-04 | 6.87 |
| -231.87189980 | 1.7277E-04 | 6.90 |
| -231.87188633 | 1.7209E-04 | 6.94 |
| -231.87189252 | 1.7159E-04 | 6.98 |
| -231.87192165 | 1.7178E-04 | 7.02 |
| -231.87194023 | 1.7142E-04 | 7.05 |
| -231.87193993 | 1.7080E-04 | 7.09 |
| -231.87192540 | 1.7023E-04 | 7.13 |
| -231.87191881 | 1.6974E-04 | 7.17 |
| -231.87191512 | 1.6913E-04 | 7.20 |
| -231.87190545 | 1.6855E-04 | 7.24 |
| -231.87191747 | 1.6805E-04 | 7.28 |
| -231.87192182 | 1.6790E-04 | 7.32 |
| -231.87191002 | 1.6732E-04 | 7.35 |
| -231.87191027 | 1.6684E-04 | 7.39 |
| -231.87188615 | 1.6618E-04 | 7.43 |
| -231.87187198 | 1.6553E-04 | 7.46 |
| -231.87186780 | 1.6502E-04 | 7.50 |
| -231.87185962 | 1.6456E-04 | 7.54 |
| -231.87188556 | 1.6455E-04 | 7.58 |
| -231.87190234 | 1.6420E-04 | 7.61 |
| -231.87189705 | 1.6364E-04 | 7.65 |
| -231.87190847 | 1.6333E-04 | 7.69 |
| -231.87189487 | 1.6281E-04 | 7.72 |
| -231.87190080 | 1.6246E-04 | 7.76 |
| -231.87190497 | 1.6213E-04 | 7.80 |
| -231.87188352 | 1.6159E-04 | 7.84 |
| -231.87188672 | 1.6118E-04 | 7.87 |
| -231.87189612 | 1.6119E-04 | 7.91 |
| -231.87188172 | 1.6067E-04 | 7.95 |
| -231.87188615 | 1.6022E-04 | 7.98 |
| -231.87186874 | 1.5971E-04 | 8.02 |
| -231.87185925 | 1.5945E-04 | 8.06 |
| -231.87186260 | 1.5915E-04 | 8.10 |
| -231.87189100 | 1.5898E-04 | 8.13 |
| -231.87189602 | 1.5865E-04 | 8.17 |
| -231.87187387 | 1.5809E-04 | 8.21 |
| -231.87185693 | 1.5751E-04 | 8.24 |
| -231.87187102 | 1.5709E-04 | 8.28 |
| -231.87187480 | 1.5665E-04 | 8.32 |
| -231.87186758 | 1.5626E-04 | 8.36 |
| -231.87187189 | 1.5595E-04 | 8.39 |
| -231.87187087 | 1.5557E-04 | 8.43 |
| -231.87188247 | 1.5518E-04 | 8.47 |
| -231.87188638 | 1.5485E-04 | 8.51 |
| -231.87189959 | 1.5482E-04 | 8.54 |
| -231.87189046 | 1.5442E-04 | 8.58 |
| -231.87189433 | 1.5412E-04 | 8.62 |
| -231.87188026 | 1.5363E-04 | 8.66 |
| -231.87187425 | 1.5343E-04 | 8.69 |
| -231.87187849 | 1.5307E-04 | 8.73 |
| -231.87188082 | 1.5271E-04 | 8.77 |
| -231.87187181 | 1.5228E-04 | 8.80 |
| -231.87186212 | 1.5188E-04 | 8.84 |
| -231.87185846 | 1.5148E-04 | 8.88 |
| -231.87185293 | 1.5109E-04 | 8.92 |
| -231.87186154 | 1.5090E-04 | 8.95 |
| -231.87187836 | 1.5082E-04 | 8.99 |
| -231.87187833 | 1.5049E-04 | 9.03 |
| -231.87188166 | 1.5016E-04 | 9.07 |
| -231.87187320 | 1.4986E-04 | 9.10 |
| -231.87186765 | 1.4941E-04 | 9.14 |
| -231.87186635 | 1.4902E-04 | 9.18 |
| -231.87187412 | 1.4869E-04 | 9.22 |
| -231.87186247 | 1.4827E-04 | 9.25 |
| -231.87184911 | 1.4787E-04 | 9.29 |
| -231.87185570 | 1.4768E-04 | 9.33 |
| -231.87185660 | 1.4735E-04 | 9.36 |
| -231.87184793 | 1.4690E-04 | 9.40 |
| -231.87184611 | 1.4653E-04 | 9.44 |
| -231.87184620 | 1.4616E-04 | 9.47 |
| -231.87185479 | 1.4582E-04 | 9.51 |
| -231.87185249 | 1.4543E-04 | 9.55 |
| -231.87185981 | 1.4513E-04 | 9.59 |
| -231.87186522 | 1.4476E-04 | 9.62 |
| -231.87187384 | 1.4446E-04 | 9.66 |
| -231.87188252 | 1.4419E-04 | 9.70 |
| -231.87188466 | 1.4394E-04 | 9.74 |
| -231.87190125 | 1.4373E-04 | 9.77 |
| -231.87190223 | 1.4354E-04 | 9.81 |
| -231.87189741 | 1.4324E-04 | 9.85 |
| -231.87189523 | 1.4298E-04 | 9.88 |
| -231.87190607 | 1.4287E-04 | 9.92 |
| -231.87189772 | 1.4249E-04 | 9.96 |
| -231.87189882 | 1.4223E-04 | 10.00 |
| -231.87189909 | 1.4197E-04 | 10.03 |
| -231.87190815 | 1.4183E-04 | 10.07 |
| -231.87190691 | 1.4146E-04 | 10.11 |
| -231.87190551 | 1.4112E-04 | 10.14 |
| -231.87189997 | 1.4078E-04 | 10.18 |
| -231.87188587 | 1.4034E-04 | 10.22 |
| -231.87186923 | 1.3997E-04 | 10.26 |
| -231.87186906 | 1.3971E-04 | 10.29 |
| -231.87186990 | 1.3941E-04 | 10.33 |
| -231.87187068 | 1.3911E-04 | 10.37 |
| -231.87187289 | 1.3883E-04 | 10.40 |
| -231.87186886 | 1.3851E-04 | 10.44 |
| -231.87187780 | 1.3845E-04 | 10.48 |
| -231.87188646 | 1.3828E-04 | 10.52 |
| -231.87188917 | 1.3806E-04 | 10.55 |
| -231.87189770 | 1.3809E-04 | 10.59 |
| -231.87191802 | 1.3811E-04 | 10.63 |
| -231.87191884 | 1.3789E-04 | 10.66 |
| -231.87190971 | 1.3758E-04 | 10.70 |
| -231.87191258 | 1.3743E-04 | 10.74 |
| -231.87191985 | 1.3740E-04 | 10.78 |
| -231.87191234 | 1.3705E-04 | 10.81 |
| -231.87191004 | 1.3674E-04 | 10.85 |
| -231.87191769 | 1.3666E-04 | 10.89 |
| -231.87191182 | 1.3642E-04 | 10.93 |
| -231.87190860 | 1.3610E-04 | 10.96 |
| -231.87191421 | 1.3582E-04 | 11.00 |
| -231.87192409 | 1.3583E-04 | 11.04 |
| -231.87191226 | 1.3552E-04 | 11.07 |
| -231.87189896 | 1.3516E-04 | 11.11 |
| -231.87190179 | 1.3493E-04 | 11.15 |
| -231.87191110 | 1.3473E-04 | 11.19 |
| -231.87190349 | 1.3438E-04 | 11.22 |
| -231.87189611 | 1.3409E-04 | 11.26 |
| -231.87189949 | 1.3384E-04 | 11.30 |
| -231.87189824 | 1.3357E-04 | 11.33 |
| -231.87190196 | 1.3336E-04 | 11.37 |
| -231.87189077 | 1.3308E-04 | 11.41 |
| -231.87189123 | 1.3282E-04 | 11.45 |
| -231.87188012 | 1.3248E-04 | 11.48 |
| -231.87188362 | 1.3225E-04 | 11.52 |
| -231.87188797 | 1.3203E-04 | 11.56 |
| -231.87189214 | 1.3184E-04 | 11.60 |
| -231.87188543 | 1.3153E-04 | 11.63 |
| -231.87188173 | 1.3123E-04 | 11.67 |
| -231.87188843 | 1.3105E-04 | 11.71 |
| -231.87188646 | 1.3078E-04 | 11.74 |
| -231.87187649 | 1.3051E-04 | 11.78 |
| -231.87188290 | 1.3028E-04 | 11.82 |
| -231.87187700 | 1.3003E-04 | 11.86 |
| -231.87186996 | 1.2971E-04 | 11.89 |
| -231.87187154 | 1.2950E-04 | 11.93 |
| -231.87187458 | 1.2942E-04 | 11.97 |
| -231.87187053 | 1.2912E-04 | 12.00 |
| -231.87187242 | 1.2893E-04 | 12.04 |
| -231.87189137 | 1.2894E-04 | 12.08 |
| -231.87189304 | 1.2869E-04 | 12.12 |
| -231.87190172 | 1.2845E-04 | 12.15 |
| -231.87190249 | 1.2826E-04 | 12.19 |
| -231.87189914 | 1.2798E-04 | 12.23 |
| -231.87189175 | 1.2771E-04 | 12.27 |
| -231.87189759 | 1.2748E-04 | 12.30 |
| -231.87189320 | 1.2720E-04 | 12.34 |
| -231.87189221 | 1.2696E-04 | 12.38 |
| -231.87188298 | 1.2668E-04 | 12.41 |
| -231.87186942 | 1.2638E-04 | 12.45 |
| -231.87187163 | 1.2612E-04 | 12.49 |
| -231.87186979 | 1.2587E-04 | 12.53 |
| -231.87186681 | 1.2564E-04 | 12.56 |
| -231.87187629 | 1.2549E-04 | 12.60 |
| -231.87188880 | 1.2546E-04 | 12.64 |
| -231.87189270 | 1.2528E-04 | 12.67 |
| -231.87190266 | 1.2522E-04 | 12.71 |
| -231.87190334 | 1.2499E-04 | 12.75 |
| -231.87190038 | 1.2474E-04 | 12.79 |
| -231.87189616 | 1.2449E-04 | 12.82 |
| -231.87188987 | 1.2422E-04 | 12.86 |
| -231.87190079 | 1.2449E-04 | 12.90 |
| -231.87190006 | 1.2442E-04 | 12.93 |
| -231.87189401 | 1.2413E-04 | 12.97 |
| -231.87189287 | 1.2387E-04 | 13.01 |
| -231.87188857 | 1.2363E-04 | 13.05 |
| -231.87189592 | 1.2343E-04 | 13.08 |
| -231.87188673 | 1.2318E-04 | 13.12 |
| -231.87188345 | 1.2291E-04 | 13.16 |
| -231.87188227 | 1.2268E-04 | 13.19 |
| -231.87188396 | 1.2250E-04 | 13.23 |
| -231.87190776 | 1.0782E-04 | 13.27 |
| -231.87191743 | 1.0772E-04 | 13.31 |
| -231.87191255 | 1.0749E-04 | 13.34 |
| -231.87191720 | 1.0742E-04 | 13.38 |
| -231.87191359 | 1.0720E-04 | 13.42 |
| -231.87190768 | 1.0700E-04 | 13.45 |
| -231.87191678 | 1.0699E-04 | 13.49 |
| -231.87191147 | 1.0677E-04 | 13.53 |
| -231.87191397 | 1.0660E-04 | 13.57 |
| -231.87191126 | 1.0636E-04 | 13.60 |
| -231.87190611 | 1.0616E-04 | 13.64 |
| -231.87191451 | 1.0604E-04 | 13.68 |
| -231.87191218 | 1.0582E-04 | 13.71 |
| -231.87191724 | 1.0567E-04 | 13.75 |
| -231.87191913 | 1.0549E-04 | 13.79 |
| -231.87192553 | 1.0543E-04 | 13.83 |
| -231.87193324 | 1.0533E-04 | 13.86 |
| -231.87193266 | 1.0512E-04 | 13.90 |
| -231.87194016 | 1.0531E-04 | 13.94 |
| -231.87194706 | 1.0525E-04 | 13.98 |
| -231.87194329 | 1.0505E-04 | 14.01 |
| -231.87193875 | 1.0484E-04 | 14.05 |
| -231.87193504 | 1.0464E-04 | 14.09 |
| -231.87194167 | 1.0456E-04 | 14.12 |
| -231.87193524 | 1.0444E-04 | 14.16 |
| -231.87193711 | 1.0434E-04 | 14.20 |
| -231.87194264 | 1.0427E-04 | 14.23 |
| -231.87194563 | 1.0409E-04 | 14.27 |
| -231.87194398 | 1.0398E-04 | 14.31 |
| -231.87194746 | 1.0388E-04 | 14.34 |
| -231.87194171 | 1.0368E-04 | 14.38 |
| -231.87194252 | 1.0349E-04 | 14.42 |
| -231.87193947 | 1.0331E-04 | 14.45 |
| -231.87195233 | 1.0333E-04 | 14.49 |
| -231.87195598 | 1.0321E-04 | 14.52 |
| -231.87195060 | 1.0302E-04 | 14.56 |
| -231.87194600 | 1.0283E-04 | 14.59 |
| -231.87193903 | 1.0262E-04 | 14.63 |
| -231.87193782 | 1.0244E-04 | 14.67 |
| -231.87193915 | 1.0228E-04 | 14.71 |
| -231.87194130 | 1.0214E-04 | 14.74 |
| -231.87194061 | 1.0199E-04 | 14.78 |
| -231.87194981 | 1.0202E-04 | 14.82 |
| -231.87195071 | 1.0191E-04 | 14.86 |
| -231.87194702 | 1.0173E-04 | 14.89 |
| -231.87195504 | 1.0158E-04 | 14.93 |
| -231.87194800 | 1.0137E-04 | 14.97 |
| -231.87194548 | 1.0118E-04 | 15.00 |
| -231.87194794 | 1.0101E-04 | 15.04 |
| -231.87194774 | 1.0087E-04 | 15.08 |
| -231.87195283 | 1.0069E-04 | 15.11 |
| -231.87195126 | 1.0049E-04 | 15.15 |
| -231.87194823 | 1.0031E-04 | 15.19 |
| -231.87195360 | 1.0020E-04 | 15.23 |
| -231.87193962 | 9.9984E-05 | 15.26 |
| -231.87193954 | 9.9948E-05 | 15.30 |
| -231.87193876 | 9.9785E-05 | 15.34 |
| -231.87193548 | 9.9611E-05 | 15.38 |
| -231.87193807 | 9.9626E-05 | 15.41 |
| -231.87193090 | 9.9443E-05 | 15.45 |
| -231.87192895 | 9.9265E-05 | 15.49 |
| -231.87193175 | 9.9163E-05 | 15.52 |
| -231.87194128 | 9.9089E-05 | 15.56 |
| -231.87194181 | 9.8935E-05 | 15.60 |
| -231.87194580 | 9.8804E-05 | 15.64 |
| -231.87194107 | 9.8623E-05 | 15.67 |
| -231.87193514 | 9.8434E-05 | 15.71 |
| -231.87193166 | 9.8284E-05 | 15.75 |
| -231.87193051 | 9.8144E-05 | 15.78 |
| -231.87192900 | 9.7974E-05 | 15.82 |
| -231.87193087 | 9.7883E-05 | 15.86 |
| -231.87192606 | 9.7770E-05 | 15.90 |
| -231.87192606 | 9.7641E-05 | 15.93 |
| -231.87192817 | 9.7494E-05 | 15.97 |
| -231.87192775 | 9.7356E-05 | 16.01 |
| -231.87192700 | 9.7187E-05 | 16.05 |
| -231.87192859 | 9.7039E-05 | 16.08 |
| -231.87192286 | 9.6859E-05 | 16.12 |
| -231.87192257 | 9.6731E-05 | 16.16 |
| -231.87192172 | 9.6579E-05 | 16.20 |
| -231.87192194 | 9.6437E-05 | 16.23 |
| -231.87192310 | 9.6347E-05 | 16.27 |
| -231.87192465 | 9.6222E-05 | 16.31 |
| -231.87192611 | 9.6100E-05 | 16.34 |
| -231.87193173 | 9.6004E-05 | 16.38 |
| -231.87192492 | 9.5814E-05 | 16.42 |
| -231.87192189 | 9.5651E-05 | 16.46 |
| -231.87191804 | 9.5539E-05 | 16.49 |
| -231.87191368 | 9.5373E-05 | 16.53 |
| -231.87191272 | 9.5315E-05 | 16.57 |
| -231.87190858 | 9.5202E-05 | 16.60 |
| -231.87190650 | 9.5060E-05 | 16.64 |
| -231.87189679 | 9.4908E-05 | 16.68 |
| -231.87189817 | 9.4780E-05 | 16.72 |
| -231.87190610 | 9.4661E-05 | 16.75 |
| -231.87190878 | 9.4534E-05 | 16.79 |
| -231.87190021 | 9.4373E-05 | 16.83 |
| -231.87189898 | 9.4240E-05 | 16.86 |
| -231.87190323 | 9.4120E-05 | 16.90 |
| -231.87189936 | 9.3979E-05 | 16.94 |
| -231.87190569 | 9.3874E-05 | 16.98 |
| -231.87190374 | 9.3810E-05 | 17.01 |
| -231.87190033 | 9.3650E-05 | 17.05 |
| -231.87189322 | 9.3483E-05 | 17.09 |
| -231.87189162 | 9.3337E-05 | 17.12 |
| -231.87189201 | 9.3192E-05 | 17.16 |
| -231.87188588 | 9.3023E-05 | 17.20 |
| -231.87188071 | 9.2886E-05 | 17.24 |
| -231.87187861 | 9.2724E-05 | 17.27 |
| -231.87187601 | 9.2633E-05 | 17.31 |
| -231.87186791 | 9.2477E-05 | 17.35 |
| -231.87186161 | 9.2320E-05 | 17.39 |
| -231.87186030 | 9.2196E-05 | 17.42 |
| -231.87186794 | 9.2093E-05 | 17.46 |
| -231.87186558 | 9.1998E-05 | 17.50 |
| -231.87186616 | 9.1875E-05 | 17.54 |
| -231.87186020 | 9.1734E-05 | 17.57 |
| -231.87185934 | 9.1595E-05 | 17.61 |
| -231.87185721 | 9.1478E-05 | 17.65 |
| -231.87186553 | 9.1506E-05 | 17.68 |
| -231.87186104 | 9.1372E-05 | 17.72 |
| -231.87185181 | 9.1219E-05 | 17.76 |
| -231.87185470 | 9.1104E-05 | 17.79 |
| -231.87185978 | 9.1118E-05 | 17.83 |
| -231.87185385 | 9.0976E-05 | 17.87 |
| -231.87185136 | 9.0846E-05 | 17.91 |
| -231.87185178 | 9.0709E-05 | 17.94 |
| -231.87184855 | 9.0570E-05 | 17.98 |
| -231.87185154 | 9.0495E-05 | 18.02 |
| -231.87185173 | 9.0381E-05 | 18.05 |
| -231.87185571 | 9.0323E-05 | 18.09 |
| -231.87185416 | 9.0190E-05 | 18.13 |
| -231.87184969 | 9.0030E-05 | 18.17 |
| -231.87185378 | 8.9959E-05 | 18.20 |
| -231.87186464 | 9.0004E-05 | 18.24 |
| -231.87186258 | 8.9888E-05 | 18.28 |
| -231.87187181 | 8.9851E-05 | 18.31 |
| -231.87187394 | 8.9767E-05 | 18.35 |
| -231.87187621 | 8.9687E-05 | 18.39 |
| -231.87187479 | 8.9565E-05 | 18.43 |
| -231.87187551 | 8.9541E-05 | 18.46 |
| -231.87187545 | 8.9434E-05 | 18.50 |
| -231.87187957 | 8.9366E-05 | 18.54 |
| -231.87188680 | 8.9318E-05 | 18.57 |
| -231.87188485 | 8.9256E-05 | 18.61 |
| -231.87187895 | 8.9133E-05 | 18.65 |
| -231.87187501 | 8.8999E-05 | 18.68 |
| -231.87187990 | 8.8883E-05 | 18.72 |
| -231.87188247 | 8.8795E-05 | 18.76 |
| -231.87188227 | 8.8684E-05 | 18.79 |
| -231.87188110 | 8.8580E-05 | 18.83 |
| -231.87187726 | 8.8439E-05 | 18.87 |
| -231.87188025 | 7.6472E-05 | 18.91 |
| -231.87188884 | 7.6485E-05 | 18.94 |
| -231.87189149 | 7.6387E-05 | 18.98 |
| -231.87189167 | 7.6295E-05 | 19.02 |
| -231.87189464 | 7.6220E-05 | 19.05 |
| -231.87189041 | 7.6095E-05 | 19.09 |
| -231.87189149 | 7.6005E-05 | 19.13 |
| -231.87188775 | 7.5906E-05 | 19.17 |
| -231.87188931 | 7.5804E-05 | 19.20 |
| -231.87189674 | 7.5765E-05 | 19.24 |
| -231.87189791 | 7.5668E-05 | 19.28 |
| -231.87189566 | 7.5578E-05 | 19.31 |
| -231.87188750 | 7.5448E-05 | 19.35 |
| -231.87188414 | 7.5332E-05 | 19.39 |
| -231.87187742 | 7.5204E-05 | 19.43 |
| -231.87188036 | 7.5130E-05 | 19.46 |
| -231.87187911 | 7.5043E-05 | 19.50 |
| -231.87188248 | 7.4977E-05 | 19.54 |
| -231.87188286 | 7.4863E-05 | 19.58 |
| -231.87188637 | 7.4773E-05 | 19.61 |
| -231.87188378 | 7.4665E-05 | 19.65 |
| -231.87188250 | 7.4574E-05 | 19.69 |
| -231.87187884 | 7.4460E-05 | 19.73 |
| -231.87187851 | 7.4391E-05 | 19.76 |
| -231.87187840 | 7.4295E-05 | 19.80 |
| -231.87187414 | 7.4193E-05 | 19.84 |
| -231.87187242 | 7.4077E-05 | 19.87 |
| -231.87187848 | 7.4019E-05 | 19.91 |
| -231.87188210 | 7.3963E-05 | 19.95 |
| -231.87188585 | 7.3902E-05 | 19.99 |
| -231.87188416 | 7.3804E-05 | 20.02 |
| -231.87188522 | 7.3714E-05 | 20.06 |
| -231.87188580 | 7.3634E-05 | 20.10 |
| -231.87188773 | 7.3558E-05 | 20.13 |
| -231.87188539 | 7.3464E-05 | 20.17 |
| -231.87188829 | 7.3384E-05 | 20.21 |
| -231.87188818 | 7.3302E-05 | 20.24 |
| -231.87188700 | 7.3203E-05 | 20.28 |
| -231.87188430 | 7.3097E-05 | 20.32 |
| -231.87188288 | 7.3000E-05 | 20.36 |
| -231.87187774 | 7.2888E-05 | 20.39 |
| -231.87187534 | 7.2805E-05 | 20.43 |
| -231.87187351 | 7.2725E-05 | 20.47 |
| -231.87186924 | 7.2606E-05 | 20.50 |
| -231.87186589 | 7.2500E-05 | 20.54 |
| -231.87186392 | 7.2404E-05 | 20.58 |
| -231.87186534 | 7.2332E-05 | 20.61 |
| -231.87186220 | 7.2242E-05 | 20.65 |
| -231.87186739 | 7.2240E-05 | 20.69 |
| -231.87187123 | 7.2177E-05 | 20.73 |
| -231.87186888 | 7.2071E-05 | 20.76 |
| -231.87186990 | 7.1969E-05 | 20.80 |
| -231.87186597 | 7.1859E-05 | 20.84 |
| -231.87186260 | 7.1765E-05 | 20.87 |
| -231.87186669 | 7.1690E-05 | 20.91 |
| -231.87186733 | 7.1596E-05 | 20.95 |
| -231.87186634 | 7.1507E-05 | 20.98 |
| -231.87186448 | 7.1414E-05 | 21.02 |
| -231.87186405 | 7.1337E-05 | 21.06 |
| -231.87185834 | 7.1239E-05 | 21.10 |
| -231.87185707 | 7.1138E-05 | 21.13 |
| -231.87185972 | 7.1076E-05 | 21.17 |
| -231.87186053 | 7.1009E-05 | 21.21 |
| -231.87185922 | 7.0921E-05 | 21.24 |
| -231.87186185 | 7.0884E-05 | 21.28 |
| -231.87186738 | 7.0842E-05 | 21.32 |
| -231.87186713 | 7.0751E-05 | 21.36 |
| -231.87186898 | 7.0685E-05 | 21.39 |
| -231.87186476 | 7.0590E-05 | 21.43 |
| -231.87186711 | 7.0644E-05 | 21.47 |
| -231.87186477 | 7.0566E-05 | 21.50 |
| -231.87186594 | 7.0486E-05 | 21.54 |
| -231.87186639 | 7.0390E-05 | 21.58 |
| -231.87186757 | 7.0309E-05 | 21.61 |
| -231.87186300 | 7.0210E-05 | 21.65 |
| -231.87186454 | 7.0173E-05 | 21.69 |
| -231.87186440 | 7.0090E-05 | 21.73 |
| -231.87186575 | 7.0009E-05 | 21.76 |
| -231.87186788 | 6.9938E-05 | 21.80 |
| -231.87187242 | 6.9902E-05 | 21.84 |
| -231.87187371 | 6.9834E-05 | 21.87 |
| -231.87187144 | 6.9745E-05 | 21.91 |
| -231.87187462 | 6.9693E-05 | 21.95 |
| -231.87187128 | 6.9594E-05 | 21.98 |
| -231.87187403 | 6.9534E-05 | 22.02 |
| -231.87187398 | 6.9448E-05 | 22.06 |
| -231.87187120 | 6.9381E-05 | 22.09 |
| -231.87187196 | 6.9296E-05 | 22.13 |
| -231.87187033 | 6.9214E-05 | 22.17 |
| -231.87186949 | 6.9137E-05 | 22.21 |
| -231.87187058 | 6.9057E-05 | 22.24 |
| -231.87187322 | 6.9049E-05 | 22.28 |
| -231.87187200 | 6.8967E-05 | 22.32 |
| -231.87187082 | 6.8890E-05 | 22.35 |
| -231.87186932 | 6.8811E-05 | 22.39 |
| -231.87186698 | 6.8730E-05 | 22.43 |
| -231.87187538 | 6.8718E-05 | 22.47 |
| -231.87187537 | 6.8640E-05 | 22.50 |
| -231.87187899 | 6.8590E-05 | 22.54 |
| -231.87187430 | 6.8497E-05 | 22.58 |
| -231.87187705 | 6.8433E-05 | 22.61 |
| -231.87188082 | 6.8394E-05 | 22.65 |
| -231.87188107 | 6.8312E-05 | 22.69 |
| -231.87188187 | 6.8241E-05 | 22.73 |
| -231.87188289 | 6.8166E-05 | 22.76 |
| -231.87188325 | 6.8096E-05 | 22.80 |
| -231.87188722 | 6.8109E-05 | 22.84 |
| -231.87189231 | 6.8182E-05 | 22.87 |
| -231.87188974 | 6.8095E-05 | 22.91 |
| -231.87189376 | 6.8132E-05 | 22.95 |
| -231.87189712 | 6.8067E-05 | 22.99 |
| -231.87189768 | 6.7991E-05 | 23.02 |
| -231.87189644 | 6.7924E-05 | 23.06 |
| -231.87189618 | 6.7847E-05 | 23.10 |
| -231.87190178 | 6.7861E-05 | 23.13 |
| -231.87190009 | 6.7774E-05 | 23.17 |
| -231.87190098 | 6.7713E-05 | 23.21 |
| -231.87189890 | 6.7628E-05 | 23.24 |
| -231.87189750 | 6.7537E-05 | 23.28 |
| -231.87189267 | 6.7437E-05 | 23.32 |
| -231.87189316 | 6.7355E-05 | 23.36 |
| -231.87189672 | 6.7347E-05 | 23.39 |
| -231.87190075 | 6.7333E-05 | 23.43 |
| -231.87189917 | 6.7265E-05 | 23.47 |
| -231.87190019 | 6.7189E-05 | 23.50 |
| -231.87189845 | 6.7114E-05 | 23.54 |
| -231.87189552 | 6.7025E-05 | 23.58 |
| -231.87189466 | 6.6948E-05 | 23.61 |
| -231.87189945 | 6.6889E-05 | 23.65 |
| -231.87190167 | 6.6869E-05 | 23.69 |
| -231.87189904 | 6.6785E-05 | 23.73 |
| -231.87189634 | 6.6707E-05 | 23.76 |
| -231.87189551 | 6.6627E-05 | 23.80 |
| -231.87189504 | 6.6550E-05 | 23.84 |
| -231.87189580 | 6.6496E-05 | 23.87 |
| -231.87189849 | 6.6462E-05 | 23.91 |
| -231.87185130 | 5.5338E-05 | 23.95 |
| -231.87184912 | 5.5271E-05 | 23.99 |
| -231.87184892 | 5.5225E-05 | 24.02 |
| -231.87184673 | 5.5151E-05 | 24.06 |
| -231.87184621 | 5.5090E-05 | 24.10 |
| -231.87184548 | 5.5034E-05 | 24.13 |
| -231.87184469 | 5.4971E-05 | 24.17 |
| -231.87184942 | 5.5003E-05 | 24.21 |
| -231.87185104 | 5.4995E-05 | 24.25 |
| -231.87185011 | 5.4936E-05 | 24.28 |
| -231.87185077 | 5.4878E-05 | 24.32 |
| -231.87185065 | 5.4823E-05 | 24.36 |
| -231.87185094 | 5.4774E-05 | 24.39 |
| -231.87184813 | 5.4708E-05 | 24.43 |
| -231.87184885 | 5.4654E-05 | 24.47 |
| -231.87184866 | 5.4589E-05 | 24.51 |
| -231.87184605 | 5.4534E-05 | 24.54 |
| -231.87184446 | 5.4475E-05 | 24.58 |
| -231.87184224 | 5.4410E-05 | 24.62 |
| -231.87183868 | 5.4360E-05 | 24.65 |
| -231.87183920 | 5.4305E-05 | 24.69 |
| -231.87184042 | 5.4255E-05 | 24.73 |
| -231.87184064 | 5.4199E-05 | 24.77 |
| -231.87184343 | 5.4165E-05 | 24.80 |
| -231.87184285 | 5.4120E-05 | 24.84 |
| -231.87184037 | 5.4057E-05 | 24.88 |
| -231.87184157 | 5.4002E-05 | 24.91 |
| -231.87183817 | 5.3937E-05 | 24.95 |
| -231.87184032 | 5.3956E-05 | 24.99 |
| -231.87184188 | 5.3912E-05 | 25.02 |
| -231.87184090 | 5.3854E-05 | 25.06 |
| -231.87183644 | 5.3789E-05 | 25.10 |
| -231.87183198 | 5.3721E-05 | 25.14 |
| -231.87183296 | 5.3667E-05 | 25.17 |
| -231.87183126 | 5.3608E-05 | 25.21 |
| -231.87183112 | 5.3547E-05 | 25.25 |
| -231.87183141 | 5.3484E-05 | 25.28 |
| -231.87183326 | 5.3439E-05 | 25.32 |
| -231.87183304 | 5.3373E-05 | 25.36 |
| -231.87183241 | 5.3317E-05 | 25.40 |
| -231.87183231 | 5.3284E-05 | 25.43 |
| -231.87183192 | 5.3230E-05 | 25.47 |
| -231.87183415 | 5.3181E-05 | 25.51 |
| -231.87183454 | 5.3123E-05 | 25.54 |
| -231.87183586 | 5.3085E-05 | 25.58 |
| -231.87183624 | 5.3039E-05 | 25.62 |
| -231.87183864 | 5.2993E-05 | 25.66 |
| -231.87183948 | 5.2952E-05 | 25.69 |
| -231.87184613 | 5.2917E-05 | 25.73 |
| -231.87184700 | 5.2880E-05 | 25.77 |
| -231.87184544 | 5.2821E-05 | 25.80 |
| -231.87184716 | 5.2777E-05 | 25.84 |
| -231.87184698 | 5.2721E-05 | 25.88 |
| -231.87184593 | 5.2673E-05 | 25.91 |
| -231.87184398 | 5.2631E-05 | 25.95 |
| -231.87184507 | 5.2609E-05 | 25.99 |
| -231.87184408 | 5.2560E-05 | 26.02 |
| -231.87184490 | 5.2511E-05 | 26.06 |
| -231.87184675 | 5.2473E-05 | 26.10 |
| -231.87184930 | 5.2431E-05 | 26.14 |
| -231.87184855 | 5.2384E-05 | 26.17 |
| -231.87184596 | 5.2327E-05 | 26.21 |
| -231.87184905 | 5.2312E-05 | 26.25 |
| -231.87185092 | 5.2297E-05 | 26.28 |
| -231.87185507 | 5.2270E-05 | 26.32 |
| -231.87185456 | 5.2218E-05 | 26.36 |
| -231.87185520 | 5.2173E-05 | 26.39 |
| -231.87185205 | 5.2113E-05 | 26.43 |
| -231.87185210 | 5.2071E-05 | 26.47 |
| -231.87184923 | 5.2014E-05 | 26.51 |
| -231.87184904 | 5.1967E-05 | 26.54 |
| -231.87184881 | 5.1927E-05 | 26.58 |
| -231.87184907 | 5.1897E-05 | 26.62 |
| -231.87184846 | 5.1845E-05 | 26.65 |
| -231.87184580 | 5.1779E-05 | 26.69 |
| -231.87184863 | 5.1751E-05 | 26.73 |
| -231.87184519 | 5.1706E-05 | 26.77 |
| -231.87184601 | 5.1663E-05 | 26.80 |
| -231.87184443 | 5.1613E-05 | 26.84 |
| -231.87184464 | 5.1564E-05 | 26.88 |
| -231.87184586 | 5.1531E-05 | 26.91 |
| -231.87184200 | 5.1470E-05 | 26.95 |
| -231.87184377 | 5.1426E-05 | 26.99 |
| -231.87184057 | 5.1374E-05 | 27.03 |
| -231.87183825 | 5.1314E-05 | 27.06 |
| -231.87183885 | 5.1281E-05 | 27.10 |
| -231.87183456 | 5.1222E-05 | 27.14 |
| -231.87183285 | 5.1166E-05 | 27.17 |
| -231.87183519 | 5.1139E-05 | 27.21 |
| -231.87183840 | 5.1104E-05 | 27.25 |
| -231.87184181 | 5.1116E-05 | 27.28 |
| -231.87184235 | 5.1062E-05 | 27.32 |
| -231.87184354 | 5.1015E-05 | 27.36 |
| -231.87184325 | 5.0972E-05 | 27.39 |
| -231.87184435 | 5.0930E-05 | 27.43 |
| -231.87184399 | 5.0890E-05 | 27.47 |
| -231.87184307 | 5.0839E-05 | 27.51 |
| -231.87184681 | 5.0823E-05 | 27.54 |
| -231.87184886 | 5.0782E-05 | 27.58 |
| -231.87185075 | 5.0736E-05 | 27.62 |
| -231.87184882 | 5.0685E-05 | 27.65 |
| -231.87184876 | 5.0638E-05 | 27.69 |
| -231.87184762 | 5.0592E-05 | 27.73 |
| -231.87184914 | 5.0553E-05 | 27.76 |
| -231.87184831 | 5.0499E-05 | 27.80 |
| -231.87184966 | 5.0515E-05 | 27.84 |
| -231.87184757 | 5.0466E-05 | 27.88 |
| -231.87184581 | 5.0412E-05 | 27.91 |
| -231.87184592 | 5.0368E-05 | 27.95 |
| -231.87184294 | 5.0315E-05 | 27.99 |
| -231.87184405 | 5.0298E-05 | 28.02 |
| -231.87184207 | 5.0251E-05 | 28.06 |
| -231.87184085 | 5.0208E-05 | 28.10 |
| -231.87183905 | 5.0155E-05 | 28.13 |
| -231.87184006 | 5.0125E-05 | 28.17 |
| -231.87184172 | 5.0083E-05 | 28.21 |
| -231.87184273 | 5.0039E-05 | 28.25 |
| -231.87184058 | 4.9983E-05 | 28.28 |
| -231.87184332 | 4.9954E-05 | 28.32 |
| -231.87184310 | 4.9904E-05 | 28.36 |
| -231.87180943 | 4.2963E-05 | 28.39 |
| -231.87180801 | 4.2922E-05 | 28.43 |
| -231.87180798 | 4.2885E-05 | 28.47 |
| -231.87180570 | 4.2842E-05 | 28.51 |
| -231.87180422 | 4.2802E-05 | 28.54 |
| -231.87180269 | 4.2761E-05 | 28.58 |
| -231.87180260 | 4.2730E-05 | 28.62 |
| -231.87180088 | 4.2694E-05 | 28.65 |
| -231.87179831 | 4.2644E-05 | 28.69 |
| -231.87179826 | 4.2611E-05 | 28.73 |
| -231.87180287 | 4.2606E-05 | 28.76 |
| -231.87180390 | 4.2565E-05 | 28.80 |
| -231.87180465 | 4.2525E-05 | 28.84 |
| -231.87180354 | 4.2485E-05 | 28.87 |
| -231.87180295 | 4.2443E-05 | 28.91 |
| -231.87180597 | 4.2410E-05 | 28.95 |
| -231.87180712 | 4.2386E-05 | 28.99 |
| -231.87181000 | 4.2408E-05 | 29.02 |
| -231.87181025 | 4.2371E-05 | 29.06 |
| -231.87181122 | 4.2338E-05 | 29.10 |
| -231.87180987 | 4.2305E-05 | 29.13 |
| -231.87181010 | 4.2269E-05 | 29.17 |
| -231.87180938 | 4.2227E-05 | 29.21 |
| -231.87180836 | 4.2185E-05 | 29.24 |
| -231.87180926 | 4.2155E-05 | 29.28 |
| -231.87180971 | 4.2124E-05 | 29.32 |
| -231.87181160 | 4.2110E-05 | 29.36 |
| -231.87181118 | 4.2070E-05 | 29.39 |
| -231.87181077 | 4.2032E-05 | 29.43 |
| -231.87180914 | 4.1997E-05 | 29.47 |
| -231.87181231 | 4.2003E-05 | 29.50 |
| -231.87181221 | 4.1964E-05 | 29.54 |
| -231.87181362 | 4.1934E-05 | 29.58 |
| -231.87181589 | 4.1898E-05 | 29.62 |
| -231.87181607 | 4.1868E-05 | 29.65 |
| -231.87181526 | 4.1833E-05 | 29.69 |
| -231.87181391 | 4.1788E-05 | 29.73 |
| -231.87181304 | 4.1750E-05 | 29.76 |
| -231.87181040 | 4.1705E-05 | 29.80 |
| -231.87181008 | 4.1669E-05 | 29.84 |
| -231.87181049 | 4.1633E-05 | 29.88 |
| -231.87180868 | 4.1597E-05 | 29.91 |
| -231.87180806 | 4.1559E-05 | 29.95 |
| -231.87180729 | 4.1512E-05 | 29.99 |
| -231.87180630 | 4.1473E-05 | 30.02 |
| -231.87180766 | 4.1442E-05 | 30.06 |
| -231.87180679 | 4.1404E-05 | 30.10 |
| -231.87180956 | 4.1376E-05 | 30.13 |
| -231.87180818 | 4.1346E-05 | 30.17 |
| -231.87180885 | 4.1315E-05 | 30.21 |
| -231.87180995 | 4.1276E-05 | 30.24 |
| -231.87180912 | 4.1239E-05 | 30.28 |
| -231.87181202 | 4.1216E-05 | 30.32 |
| -231.87181089 | 4.1178E-05 | 30.35 |
| -231.87181004 | 4.1140E-05 | 30.39 |
| -231.87181098 | 4.1110E-05 | 30.43 |
| -231.87181123 | 4.1082E-05 | 30.47 |
| -231.87180958 | 4.1039E-05 | 30.50 |
| -231.87180704 | 4.0999E-05 | 30.54 |
| -231.87180523 | 4.0961E-05 | 30.58 |
| -231.87180777 | 4.0937E-05 | 30.62 |
| -231.87180925 | 4.0906E-05 | 30.65 |
| -231.87181006 | 4.0872E-05 | 30.69 |
| -231.87180903 | 4.0834E-05 | 30.73 |
| -231.87180610 | 4.0797E-05 | 30.76 |
| -231.87180835 | 4.0767E-05 | 30.80 |
| -231.87180756 | 4.0731E-05 | 30.84 |
| -231.87180697 | 4.0689E-05 | 30.87 |
| -231.87180630 | 4.0652E-05 | 30.91 |
| -231.87180698 | 4.0627E-05 | 30.95 |
| -231.87180897 | 4.0609E-05 | 30.99 |
| -231.87180842 | 4.0580E-05 | 31.02 |
| -231.87180945 | 4.0552E-05 | 31.06 |
| -231.87180984 | 4.0522E-05 | 31.10 |
| -231.87181088 | 4.0486E-05 | 31.13 |
| -231.87181121 | 4.0450E-05 | 31.17 |
| -231.87180987 | 4.0412E-05 | 31.21 |
| -231.87180941 | 4.0376E-05 | 31.24 |
| -231.87181035 | 4.0357E-05 | 31.28 |
| -231.87180848 | 4.0319E-05 | 31.32 |
| -231.87180830 | 4.0286E-05 | 31.36 |
| -231.87180816 | 4.0244E-05 | 31.39 |
| -231.87180797 | 4.0213E-05 | 31.43 |
| -231.87180883 | 4.0181E-05 | 31.47 |
| -231.87180641 | 4.0143E-05 | 31.50 |
| -231.87180612 | 4.0108E-05 | 31.54 |
| -231.87180766 | 4.0075E-05 | 31.58 |
| -231.87180782 | 4.0041E-05 | 31.62 |
| -231.87180738 | 4.0006E-05 | 31.65 |
| -231.87180770 | 3.9979E-05 | 31.69 |
| -231.87180630 | 3.9940E-05 | 31.73 |
| -231.87180792 | 3.9917E-05 | 31.76 |
| -231.87180847 | 3.9881E-05 | 31.80 |
| -231.87180930 | 3.9848E-05 | 31.84 |
| -231.87180597 | 3.9807E-05 | 31.88 |
| -231.87180455 | 3.9773E-05 | 31.91 |
| -231.87180332 | 3.9740E-05 | 31.95 |
| -231.87180117 | 3.9702E-05 | 31.99 |
| -231.87180388 | 3.9682E-05 | 32.03 |
| -231.87180409 | 3.9648E-05 | 32.06 |
| -231.87180445 | 3.9614E-05 | 32.10 |
| -231.87180590 | 3.9593E-05 | 32.14 |
| -231.87180299 | 3.9556E-05 | 32.17 |
| -231.87180461 | 3.9538E-05 | 32.21 |
| -231.87180177 | 3.9503E-05 | 32.25 |
| -231.87180298 | 3.9473E-05 | 32.28 |
| -231.87180381 | 3.9445E-05 | 32.32 |
| -231.87180584 | 3.9424E-05 | 32.36 |
| -231.87179042 | 3.5005E-05 | 32.40 |
| -231.87179032 | 3.4971E-05 | 32.43 |
| -231.87178957 | 3.4947E-05 | 32.47 |
| -231.87178906 | 3.4918E-05 | 32.51 |
| -231.87178873 | 3.4894E-05 | 32.54 |
| -231.87178835 | 3.4865E-05 | 32.58 |
| -231.87178835 | 3.4836E-05 | 32.62 |
| -231.87178965 | 3.4826E-05 | 32.65 |
| -231.87179039 | 3.4809E-05 | 32.69 |
| -231.87178961 | 3.4772E-05 | 32.73 |
| -231.87179009 | 3.4748E-05 | 32.77 |
| -231.87178997 | 3.4723E-05 | 32.80 |
| -231.87179050 | 3.4700E-05 | 32.84 |
| -231.87179203 | 3.4675E-05 | 32.88 |
| -231.87179107 | 3.4645E-05 | 32.91 |
| -231.87179255 | 3.4616E-05 | 32.95 |
| -231.87179261 | 3.4596E-05 | 32.99 |
| -231.87179283 | 3.4573E-05 | 33.02 |
| -231.87179350 | 3.4553E-05 | 33.06 |
| -231.87179294 | 3.4530E-05 | 33.10 |
| -231.87179472 | 3.4531E-05 | 33.14 |
| -231.87179539 | 3.4505E-05 | 33.17 |
| -231.87179411 | 3.4480E-05 | 33.21 |
| -231.87179616 | 3.4462E-05 | 33.25 |
| -231.87179697 | 3.4436E-05 | 33.28 |
| -231.87179833 | 3.4417E-05 | 33.32 |
| -231.87179828 | 3.4392E-05 | 33.36 |
| -231.87179741 | 3.4361E-05 | 33.40 |
| -231.87179725 | 3.4330E-05 | 33.43 |
| -231.87179771 | 3.4308E-05 | 33.47 |
| -231.87179829 | 3.4285E-05 | 33.51 |
| -231.87179937 | 3.4260E-05 | 33.54 |
| -231.87180078 | 3.4253E-05 | 33.58 |
| -231.87180114 | 3.4231E-05 | 33.62 |
| -231.87179894 | 3.4196E-05 | 33.65 |
| -231.87179843 | 3.4166E-05 | 33.69 |
| -231.87179926 | 3.4139E-05 | 33.73 |
| -231.87180159 | 3.4172E-05 | 33.76 |
| -231.87180186 | 3.4142E-05 | 33.80 |
| -231.87180084 | 3.4112E-05 | 33.84 |
| -231.87180214 | 3.4095E-05 | 33.88 |
| -231.87180400 | 3.4081E-05 | 33.91 |
| -231.87180502 | 3.4054E-05 | 33.95 |
| -231.87180392 | 3.4023E-05 | 33.99 |
| -231.87180312 | 3.3993E-05 | 34.03 |
| -231.87180098 | 3.3962E-05 | 34.06 |
| -231.87179957 | 3.3934E-05 | 34.10 |
| -231.87179986 | 3.3911E-05 | 34.14 |
| -231.87179897 | 3.3880E-05 | 34.17 |
| -231.87180165 | 3.3856E-05 | 34.21 |
| -231.87180122 | 3.3829E-05 | 34.25 |
| -231.87180207 | 3.3812E-05 | 34.29 |
| -231.87180323 | 3.3792E-05 | 34.32 |
| -231.87180268 | 3.3762E-05 | 34.36 |
| -231.87180259 | 3.3731E-05 | 34.40 |
| -231.87180343 | 3.3704E-05 | 34.43 |
| -231.87180457 | 3.3680E-05 | 34.47 |
| -231.87180380 | 3.3656E-05 | 34.51 |
| -231.87180407 | 3.3625E-05 | 34.54 |
| -231.87180398 | 3.3601E-05 | 34.58 |
| -231.87180338 | 3.3569E-05 | 34.62 |
| -231.87180329 | 3.3547E-05 | 34.65 |
| -231.87180319 | 3.3521E-05 | 34.69 |
| -231.87180070 | 3.3489E-05 | 34.73 |
| -231.87180002 | 3.3463E-05 | 34.77 |
| -231.87179948 | 3.3437E-05 | 34.80 |
| -231.87180164 | 3.3423E-05 | 34.84 |
| -231.87180167 | 3.3398E-05 | 34.88 |
| -231.87180218 | 3.3372E-05 | 34.92 |
| -231.87180073 | 3.3346E-05 | 34.95 |
| -231.87179893 | 3.3312E-05 | 34.99 |
| -231.87179888 | 3.3285E-05 | 35.03 |
| -231.87179899 | 3.3258E-05 | 35.06 |
| -231.87179961 | 3.3234E-05 | 35.10 |
| -231.87179857 | 3.3208E-05 | 35.14 |
| -231.87179863 | 3.3184E-05 | 35.17 |
| -231.87180016 | 3.3170E-05 | 35.21 |
| -231.87179873 | 3.3148E-05 | 35.25 |
| -231.87179970 | 3.3121E-05 | 35.29 |
| -231.87179934 | 3.3097E-05 | 35.32 |
| -231.87180080 | 3.3099E-05 | 35.36 |
| -231.87180032 | 3.3078E-05 | 35.40 |
| -231.87180010 | 3.3051E-05 | 35.43 |
| -231.87180167 | 3.3031E-05 | 35.47 |
| -231.87180034 | 3.3002E-05 | 35.51 |
| -231.87180156 | 3.2983E-05 | 35.55 |
| -231.87180162 | 3.2958E-05 | 35.58 |
| -231.87179936 | 3.2928E-05 | 35.62 |
| -231.87179894 | 3.2901E-05 | 35.66 |
| -231.87179908 | 3.2875E-05 | 35.69 |
| -231.87180059 | 3.2859E-05 | 35.73 |
| -231.87180142 | 3.2835E-05 | 35.77 |
| -231.87180027 | 3.2805E-05 | 35.81 |
| -231.87179987 | 3.2784E-05 | 35.84 |
| -231.87180251 | 3.2820E-05 | 35.88 |
| -231.87180124 | 3.2795E-05 | 35.92 |
| -231.87179963 | 3.2769E-05 | 35.95 |
| -231.87178475 | 2.9383E-05 | 35.99 |
| -231.87178660 | 2.9374E-05 | 36.03 |
| -231.87178823 | 2.9361E-05 | 36.07 |
| -231.87178819 | 2.9342E-05 | 36.10 |
| -231.87178920 | 2.9317E-05 | 36.14 |
| -231.87178893 | 2.9293E-05 | 36.18 |
| -231.87178856 | 2.9272E-05 | 36.22 |
| -231.87178819 | 2.9246E-05 | 36.25 |
| -231.87178770 | 2.9225E-05 | 36.29 |
| -231.87178772 | 2.9209E-05 | 36.33 |
| -231.87178737 | 2.9186E-05 | 36.36 |
| -231.87178765 | 2.9166E-05 | 36.40 |
| -231.87178885 | 2.9154E-05 | 36.44 |
| -231.87179060 | 2.9145E-05 | 36.48 |
| -231.87178816 | 2.9118E-05 | 36.51 |
| -231.87178789 | 2.9097E-05 | 36.55 |
| -231.87178661 | 2.9071E-05 | 36.59 |
| -231.87178665 | 2.9059E-05 | 36.62 |
| -231.87178631 | 2.9038E-05 | 36.66 |
| -231.87178520 | 2.9013E-05 | 36.70 |
| -231.87178387 | 2.8988E-05 | 36.74 |
| -231.87178503 | 2.8991E-05 | 36.77 |
| -231.87178501 | 2.8975E-05 | 36.81 |
| -231.87178523 | 2.8957E-05 | 36.85 |
| -231.87178651 | 2.8963E-05 | 36.89 |
| -231.87178555 | 2.8943E-05 | 36.92 |
| -231.87178587 | 2.8925E-05 | 36.96 |
| -231.87178613 | 2.8908E-05 | 37.00 |
| -231.87178454 | 2.8882E-05 | 37.03 |
| -231.87178552 | 2.8862E-05 | 37.07 |
| -231.87178538 | 2.8846E-05 | 37.11 |
| -231.87178543 | 2.8825E-05 | 37.15 |
| -231.87178490 | 2.8814E-05 | 37.18 |
| -231.87178367 | 2.8790E-05 | 37.22 |
| -231.87178250 | 2.8768E-05 | 37.26 |
| -231.87178221 | 2.8745E-05 | 37.30 |
| -231.87178334 | 2.8728E-05 | 37.33 |
| -231.87178223 | 2.8703E-05 | 37.37 |
| -231.87178160 | 2.8682E-05 | 37.41 |
| -231.87178142 | 2.8664E-05 | 37.45 |
| -231.87178073 | 2.8644E-05 | 37.48 |
| -231.87177987 | 2.8622E-05 | 37.52 |
| -231.87178045 | 2.8606E-05 | 37.56 |
| -231.87178010 | 2.8584E-05 | 37.59 |
| -231.87177966 | 2.8562E-05 | 37.63 |
| -231.87178061 | 2.8549E-05 | 37.67 |
| -231.87178056 | 2.8531E-05 | 37.71 |
| -231.87178036 | 2.8510E-05 | 37.74 |
| -231.87178028 | 2.8488E-05 | 37.78 |
| -231.87177998 | 2.8462E-05 | 37.82 |
| -231.87178071 | 2.8443E-05 | 37.85 |
| -231.87178060 | 2.8425E-05 | 37.89 |
| -231.87177943 | 2.8400E-05 | 37.93 |
| -231.87177983 | 2.8377E-05 | 37.97 |
| -231.87178016 | 2.8361E-05 | 38.00 |
| -231.87178109 | 2.8344E-05 | 38.04 |
| -231.87177993 | 2.8321E-05 | 38.08 |
| -231.87177959 | 2.8301E-05 | 38.11 |
| -231.87177904 | 2.8278E-05 | 38.15 |
| -231.87177778 | 2.8255E-05 | 38.19 |
| -231.87177754 | 2.8233E-05 | 38.23 |
| -231.87177638 | 2.8210E-05 | 38.26 |
| -231.87177558 | 2.8188E-05 | 38.30 |
| -231.87177603 | 2.8172E-05 | 38.34 |
| -231.87177710 | 2.8155E-05 | 38.37 |
| -231.87177778 | 2.8135E-05 | 38.41 |
| -231.87177783 | 2.8117E-05 | 38.45 |
| -231.87177742 | 2.8093E-05 | 38.49 |
| -231.87177792 | 2.8076E-05 | 38.52 |
| -231.87177725 | 2.8054E-05 | 38.56 |
| -231.87177744 | 2.8034E-05 | 38.60 |
| -231.87177663 | 2.8012E-05 | 38.64 |
| -231.87177545 | 2.7987E-05 | 38.67 |
| -231.87177352 | 2.7965E-05 | 38.71 |
| -231.87177291 | 2.7945E-05 | 38.75 |
| -231.87177337 | 2.7930E-05 | 38.79 |
| -231.87177332 | 2.7910E-05 | 38.82 |
| -231.87177415 | 2.7892E-05 | 38.86 |
| -231.87177347 | 2.7871E-05 | 38.90 |
| -231.87177631 | 2.7861E-05 | 38.94 |
| -231.87177659 | 2.7844E-05 | 38.97 |
| -231.87177541 | 2.7820E-05 | 39.01 |
| -231.87177426 | 2.7798E-05 | 39.05 |
| -231.87177571 | 2.7780E-05 | 39.08 |
| -231.87177441 | 2.7758E-05 | 39.12 |
| -231.87177347 | 2.7738E-05 | 39.16 |
| -231.87177192 | 2.7724E-05 | 39.20 |
| -231.87175182 | 2.5351E-05 | 39.23 |
| -231.87175089 | 2.5334E-05 | 39.27 |
| -231.87175190 | 2.5319E-05 | 39.31 |
| -231.87175134 | 2.5300E-05 | 39.34 |
| -231.87175327 | 2.5290E-05 | 39.38 |
| -231.87175412 | 2.5272E-05 | 39.42 |
| -231.87175521 | 2.5260E-05 | 39.46 |
| -231.87175518 | 2.5240E-05 | 39.49 |
| -231.87175436 | 2.5218E-05 | 39.53 |
| -231.87175474 | 2.5201E-05 | 39.57 |
| -231.87175484 | 2.5184E-05 | 39.61 |
| -231.87175471 | 2.5163E-05 | 39.64 |
| -231.87175552 | 2.5146E-05 | 39.68 |
| -231.87175587 | 2.5131E-05 | 39.72 |
| -231.87175439 | 2.5108E-05 | 39.76 |
| -231.87175375 | 2.5089E-05 | 39.79 |
| -231.87175415 | 2.5073E-05 | 39.83 |
| -231.87175561 | 2.5061E-05 | 39.87 |
| -231.87175492 | 2.5039E-05 | 39.90 |
| -231.87175504 | 2.5021E-05 | 39.94 |
| -231.87175392 | 2.5000E-05 | 39.98 |
| -231.87175481 | 2.4985E-05 | 40.02 |
| -231.87175434 | 2.4965E-05 | 40.05 |
| -231.87175366 | 2.4947E-05 | 40.09 |
| -231.87175303 | 2.4927E-05 | 40.13 |
| -231.87175395 | 2.4911E-05 | 40.17 |
| -231.87175369 | 2.4893E-05 | 40.20 |
| -231.87175465 | 2.4882E-05 | 40.24 |
| -231.87175408 | 2.4861E-05 | 40.28 |
| -231.87175435 | 2.4843E-05 | 40.31 |
| -231.87175468 | 2.4828E-05 | 40.35 |
| -231.87175444 | 2.4813E-05 | 40.39 |
| -231.87175528 | 2.4804E-05 | 40.43 |
| -231.87175432 | 2.4787E-05 | 40.46 |
| -231.87175553 | 2.4775E-05 | 40.50 |
| -231.87175553 | 2.4763E-05 | 40.54 |
| -231.87175390 | 2.4741E-05 | 40.58 |
| -231.87175370 | 2.4726E-05 | 40.61 |
| -231.87175490 | 2.4717E-05 | 40.65 |
| -231.87175551 | 2.4704E-05 | 40.69 |
| -231.87175524 | 2.4685E-05 | 40.73 |
| -231.87175610 | 2.4672E-05 | 40.76 |
| -231.87175626 | 2.4658E-05 | 40.80 |
| -231.87175602 | 2.4639E-05 | 40.84 |
| -231.87175526 | 2.4618E-05 | 40.87 |
| -231.87175604 | 2.4605E-05 | 40.91 |
| -231.87175541 | 2.4585E-05 | 40.95 |
| -231.87175410 | 2.4567E-05 | 40.99 |
| -231.87175325 | 2.4548E-05 | 41.02 |
| -231.87175409 | 2.4548E-05 | 41.06 |
| -231.87175421 | 2.4537E-05 | 41.10 |
| -231.87175382 | 2.4521E-05 | 41.14 |
| -231.87175292 | 2.4501E-05 | 41.17 |
| -231.87175413 | 2.4490E-05 | 41.21 |
| -231.87175362 | 2.4474E-05 | 41.25 |
| -231.87175301 | 2.4456E-05 | 41.28 |
| -231.87175345 | 2.4442E-05 | 41.32 |
| -231.87175319 | 2.4426E-05 | 41.36 |
| -231.87175467 | 2.4412E-05 | 41.40 |
| -231.87175317 | 2.4391E-05 | 41.43 |
| -231.87175321 | 2.4375E-05 | 41.47 |
| -231.87175283 | 2.4358E-05 | 41.51 |
| -231.87175428 | 2.4346E-05 | 41.54 |
| -231.87175243 | 2.4326E-05 | 41.58 |
| -231.87175163 | 2.4309E-05 | 41.62 |
| -231.87175182 | 2.4293E-05 | 41.66 |
| -231.87175267 | 2.4286E-05 | 41.69 |
| -231.87175242 | 2.4267E-05 | 41.73 |
| -231.87175361 | 2.4253E-05 | 41.77 |
| -231.87175268 | 2.4235E-05 | 41.80 |
| -231.87175353 | 2.4220E-05 | 41.84 |
| -231.87175370 | 2.4209E-05 | 41.88 |
| -231.87175430 | 2.4194E-05 | 41.92 |
| -231.87175348 | 2.4176E-05 | 41.95 |
| -231.87175325 | 2.4159E-05 | 41.99 |
| -231.87175309 | 2.4145E-05 | 42.03 |
| -231.87175204 | 2.4125E-05 | 42.07 |
| -231.87175165 | 2.4107E-05 | 42.10 |
| -231.87175193 | 2.4097E-05 | 42.14 |
| -231.87175150 | 2.4084E-05 | 42.18 |
| -231.87173961 | 2.2092E-05 | 42.21 |
| -231.87173974 | 2.2076E-05 | 42.25 |
| -231.87174016 | 2.2061E-05 | 42.29 |
| -231.87173944 | 2.2043E-05 | 42.33 |
| -231.87173920 | 2.2025E-05 | 42.36 |
| -231.87173949 | 2.2008E-05 | 42.40 |
| -231.87173955 | 2.1992E-05 | 42.44 |
| -231.87174004 | 2.1978E-05 | 42.47 |
| -231.87174131 | 2.1966E-05 | 42.51 |
| -231.87174078 | 2.1952E-05 | 42.55 |
| -231.87174335 | 2.1956E-05 | 42.59 |
| -231.87174329 | 2.1946E-05 | 42.62 |
| -231.87174360 | 2.1936E-05 | 42.66 |
| -231.87174431 | 2.1924E-05 | 42.70 |
| -231.87174412 | 2.1907E-05 | 42.74 |
| -231.87174435 | 2.1895E-05 | 42.77 |
| -231.87174446 | 2.1882E-05 | 42.81 |
| -231.87174443 | 2.1871E-05 | 42.85 |
| -231.87174461 | 2.1857E-05 | 42.88 |
| -231.87174375 | 2.1843E-05 | 42.92 |
| -231.87174353 | 2.1828E-05 | 42.96 |
| -231.87174362 | 2.1815E-05 | 42.99 |
| -231.87174338 | 2.1800E-05 | 43.03 |
| -231.87174300 | 2.1789E-05 | 43.07 |
| -231.87174306 | 2.1771E-05 | 43.11 |
| -231.87174403 | 2.1756E-05 | 43.14 |
| -231.87174431 | 2.1744E-05 | 43.18 |
| -231.87174387 | 2.1727E-05 | 43.22 |
| -231.87174322 | 2.1712E-05 | 43.26 |
| -231.87174326 | 2.1699E-05 | 43.29 |
| -231.87174301 | 2.1686E-05 | 43.33 |
| -231.87174333 | 2.1673E-05 | 43.37 |
| -231.87174259 | 2.1657E-05 | 43.40 |
| -231.87174423 | 2.1650E-05 | 43.44 |
| -231.87174399 | 2.1636E-05 | 43.48 |
| -231.87174327 | 2.1622E-05 | 43.52 |
| -231.87174367 | 2.1608E-05 | 43.55 |
| -231.87174401 | 2.1595E-05 | 43.59 |
| -231.87174382 | 2.1580E-05 | 43.63 |
| -231.87174316 | 2.1564E-05 | 43.67 |
| -231.87174319 | 2.1551E-05 | 43.70 |
| -231.87174253 | 2.1543E-05 | 43.74 |
| -231.87174204 | 2.1528E-05 | 43.78 |
| -231.87174279 | 2.1517E-05 | 43.82 |
| -231.87174260 | 2.1501E-05 | 43.85 |
| -231.87174192 | 2.1487E-05 | 43.89 |
| -231.87174411 | 2.1477E-05 | 43.93 |
| -231.87174277 | 2.1461E-05 | 43.96 |
| -231.87174265 | 2.1449E-05 | 44.00 |
| -231.87174192 | 2.1434E-05 | 44.04 |
| -231.87174207 | 2.1418E-05 | 44.08 |
| -231.87174158 | 2.1404E-05 | 44.11 |
| -231.87174196 | 2.1392E-05 | 44.15 |
| -231.87174292 | 2.1381E-05 | 44.19 |
| -231.87174253 | 2.1362E-05 | 44.22 |
| -231.87174203 | 2.1347E-05 | 44.26 |
| -231.87174237 | 2.1334E-05 | 44.30 |
| -231.87174251 | 2.1324E-05 | 44.34 |
| -231.87174235 | 2.1309E-05 | 44.37 |
| -231.87174187 | 2.1296E-05 | 44.41 |
| -231.87174242 | 2.1296E-05 | 44.45 |
| -231.87174260 | 2.1285E-05 | 44.49 |
| -231.87174304 | 2.1271E-05 | 44.52 |
| -231.87174368 | 2.1257E-05 | 44.56 |
| -231.87174346 | 2.1243E-05 | 44.60 |
| -231.87174414 | 2.1235E-05 | 44.63 |
| -231.87174347 | 2.1223E-05 | 44.67 |
| -231.87174370 | 2.1210E-05 | 44.71 |
| -231.87174260 | 2.1194E-05 | 44.75 |
| -231.87174405 | 2.1183E-05 | 44.78 |
| -231.87174436 | 2.1169E-05 | 44.82 |
| -231.87174380 | 2.1153E-05 | 44.86 |
| -231.87174366 | 2.1140E-05 | 44.89 |
| -231.87174407 | 2.1129E-05 | 44.93 |
| -231.87175114 | 1.9215E-05 | 44.97 |
| -231.87175148 | 1.9206E-05 | 45.01 |
| -231.87175126 | 1.9191E-05 | 45.04 |
| -231.87175044 | 1.9179E-05 | 45.08 |
| -231.87175123 | 1.9170E-05 | 45.12 |
| -231.87175179 | 1.9159E-05 | 45.16 |
| -231.87175148 | 1.9152E-05 | 45.19 |
| -231.87175156 | 1.9141E-05 | 45.23 |
| -231.87175200 | 1.9128E-05 | 45.27 |
| -231.87175242 | 1.9116E-05 | 45.30 |
| -231.87175288 | 1.9104E-05 | 45.34 |
| -231.87175266 | 1.9094E-05 | 45.38 |
| -231.87175355 | 1.9083E-05 | 45.42 |
| -231.87175395 | 1.9071E-05 | 45.45 |
| -231.87175298 | 1.9057E-05 | 45.49 |
| -231.87175283 | 1.9042E-05 | 45.53 |
| -231.87175298 | 1.9029E-05 | 45.57 |
| -231.87175264 | 1.9015E-05 | 45.60 |
| -231.87175290 | 1.9004E-05 | 45.64 |
| -231.87175247 | 1.8996E-05 | 45.68 |
| -231.87175326 | 1.8988E-05 | 45.71 |
| -231.87175294 | 1.8975E-05 | 45.75 |
| -231.87175289 | 1.8965E-05 | 45.79 |
| -231.87175333 | 1.8956E-05 | 45.83 |
| -231.87175361 | 1.8944E-05 | 45.86 |
| -231.87175271 | 1.8929E-05 | 45.90 |
| -231.87175216 | 1.8918E-05 | 45.94 |
| -231.87175274 | 1.8907E-05 | 45.97 |
| -231.87175254 | 1.8896E-05 | 46.01 |
| -231.87175160 | 1.8881E-05 | 46.05 |
| -231.87175196 | 1.8869E-05 | 46.09 |
| -231.87175227 | 1.8858E-05 | 46.12 |
| -231.87175195 | 1.8846E-05 | 46.16 |
| -231.87175139 | 1.8836E-05 | 46.20 |
| -231.87175155 | 1.8826E-05 | 46.23 |
| -231.87175068 | 1.8813E-05 | 46.27 |
| -231.87175021 | 1.8803E-05 | 46.31 |
| -231.87174878 | 1.8786E-05 | 46.35 |
| -231.87174957 | 1.8776E-05 | 46.38 |
| -231.87174917 | 1.8763E-05 | 46.42 |
| -231.87174945 | 1.8751E-05 | 46.46 |
| -231.87175054 | 1.8749E-05 | 46.50 |
| -231.87175023 | 1.8736E-05 | 46.53 |
| -231.87174963 | 1.8721E-05 | 46.57 |
| -231.87174948 | 1.8708E-05 | 46.61 |
| -231.87174988 | 1.8696E-05 | 46.64 |
| -231.87174936 | 1.8689E-05 | 46.68 |
| -231.87174906 | 1.8676E-05 | 46.72 |
| -231.87174895 | 1.8663E-05 | 46.76 |
| -231.87174778 | 1.8648E-05 | 46.79 |
| -231.87174732 | 1.8634E-05 | 46.83 |
| -231.87174764 | 1.8630E-05 | 46.87 |
| -231.87174752 | 1.8622E-05 | 46.90 |
| -231.87174712 | 1.8609E-05 | 46.94 |
| -231.87174794 | 1.8599E-05 | 46.98 |
| -231.87174763 | 1.8586E-05 | 47.01 |
| -231.87174722 | 1.8573E-05 | 47.05 |
| -231.87174775 | 1.8562E-05 | 47.09 |
| -231.87174763 | 1.8550E-05 | 47.13 |
| -231.87174777 | 1.8542E-05 | 47.16 |
| -231.87174717 | 1.8529E-05 | 47.20 |
| -231.87174721 | 1.8518E-05 | 47.24 |
| -231.87174715 | 1.8506E-05 | 47.27 |
| -231.87174804 | 1.8499E-05 | 47.31 |
| -231.87174891 | 1.8487E-05 | 47.35 |
| -231.87174880 | 1.8477E-05 | 47.39 |
| -231.87174947 | 1.8474E-05 | 47.42 |
| -231.87174954 | 1.8464E-05 | 47.46 |
| -231.87174876 | 1.8451E-05 | 47.50 |
| -231.87174999 | 1.6740E-05 | 47.54 |
| -231.87174967 | 1.6730E-05 | 47.57 |
| -231.87174917 | 1.6718E-05 | 47.61 |
| -231.87174937 | 1.6707E-05 | 47.65 |
| -231.87175057 | 1.6700E-05 | 47.68 |
| -231.87175166 | 1.6692E-05 | 47.72 |
| -231.87175203 | 1.6684E-05 | 47.76 |
| -231.87175168 | 1.6672E-05 | 47.79 |
| -231.87175034 | 1.6659E-05 | 47.83 |
| -231.87175135 | 1.6655E-05 | 47.87 |
| -231.87175199 | 1.6652E-05 | 47.90 |
| -231.87175255 | 1.6644E-05 | 47.94 |
| -231.87175308 | 1.6634E-05 | 47.98 |
| -231.87175295 | 1.6622E-05 | 48.02 |
| -231.87175316 | 1.6613E-05 | 48.05 |
| -231.87175248 | 1.6600E-05 | 48.09 |
| -231.87175261 | 1.6590E-05 | 48.13 |
| -231.87175284 | 1.6581E-05 | 48.16 |
| -231.87175297 | 1.6571E-05 | 48.20 |
| -231.87175231 | 1.6559E-05 | 48.24 |
| -231.87175285 | 1.6549E-05 | 48.28 |
| -231.87175300 | 1.6539E-05 | 48.31 |
| -231.87175234 | 1.6527E-05 | 48.35 |
| -231.87175197 | 1.6516E-05 | 48.39 |
| -231.87175156 | 1.6510E-05 | 48.42 |
| -231.87175205 | 1.6500E-05 | 48.46 |
| -231.87175168 | 1.6488E-05 | 48.50 |
| -231.87175112 | 1.6477E-05 | 48.54 |
| -231.87175068 | 1.6466E-05 | 48.57 |
| -231.87175047 | 1.6457E-05 | 48.61 |
| -231.87175074 | 1.6447E-05 | 48.65 |
| -231.87175000 | 1.6436E-05 | 48.68 |
| -231.87174969 | 1.6425E-05 | 48.72 |
| -231.87174994 | 1.6416E-05 | 48.76 |
| -231.87175036 | 1.6407E-05 | 48.80 |
| -231.87174961 | 1.6398E-05 | 48.83 |
| -231.87174970 | 1.6391E-05 | 48.87 |
| -231.87174952 | 1.6382E-05 | 48.91 |
| -231.87175088 | 1.6378E-05 | 48.94 |
| -231.87175085 | 1.6366E-05 | 48.98 |
| -231.87175122 | 1.6359E-05 | 49.02 |
| -231.87175053 | 1.6348E-05 | 49.06 |
| -231.87175103 | 1.6342E-05 | 49.09 |
| -231.87175080 | 1.6332E-05 | 49.13 |
| -231.87175076 | 1.6325E-05 | 49.17 |
| -231.87175098 | 1.6314E-05 | 49.20 |
| -231.87175170 | 1.6309E-05 | 49.24 |
| -231.87175177 | 1.6299E-05 | 49.28 |
| -231.87175165 | 1.6289E-05 | 49.32 |
| -231.87175142 | 1.6281E-05 | 49.35 |
| -231.87175117 | 1.6271E-05 | 49.39 |
| -231.87175161 | 1.6266E-05 | 49.43 |
| -231.87175099 | 1.6253E-05 | 49.46 |
| -231.87175149 | 1.6243E-05 | 49.50 |
| -231.87175102 | 1.6231E-05 | 49.54 |
| -231.87175151 | 1.6226E-05 | 49.58 |
| -231.87175261 | 1.6222E-05 | 49.61 |
| -231.87175344 | 1.6216E-05 | 49.65 |
| -231.87175346 | 1.6205E-05 | 49.69 |
| -231.87175359 | 1.6195E-05 | 49.72 |
| -231.87175282 | 1.6185E-05 | 49.76 |
| -231.87175330 | 1.6178E-05 | 49.80 |
| -231.87175408 | 1.6171E-05 | 49.84 |
| -231.87175465 | 1.6161E-05 | 49.87 |
| -231.87175565 | 1.4738E-05 | 49.91 |
| -231.87175523 | 1.4727E-05 | 49.95 |
| -231.87175522 | 1.4719E-05 | 49.99 |
| -231.87175659 | 1.4715E-05 | 50.02 |
| -231.87175631 | 1.4707E-05 | 50.06 |
| -231.87175570 | 1.4697E-05 | 50.10 |
| -231.87175606 | 1.4688E-05 | 50.13 |
| -231.87175548 | 1.4678E-05 | 50.17 |
| -231.87175553 | 1.4668E-05 | 50.21 |
| -231.87175597 | 1.4660E-05 | 50.25 |
| -231.87175603 | 1.4651E-05 | 50.28 |
| -231.87175619 | 1.4642E-05 | 50.32 |
| -231.87175652 | 1.4635E-05 | 50.36 |
| -231.87175689 | 1.4631E-05 | 50.39 |
| -231.87175648 | 1.4622E-05 | 50.43 |
| -231.87175737 | 1.4616E-05 | 50.47 |
| -231.87175771 | 1.4607E-05 | 50.51 |
| -231.87175794 | 1.4598E-05 | 50.54 |
| -231.87175833 | 1.4587E-05 | 50.58 |
| -231.87175881 | 1.4580E-05 | 50.62 |
| -231.87175839 | 1.4570E-05 | 50.65 |
| -231.87175883 | 1.4562E-05 | 50.69 |
| -231.87175964 | 1.4555E-05 | 50.73 |
| -231.87175997 | 1.4547E-05 | 50.77 |
| -231.87175991 | 1.4540E-05 | 50.80 |
| -231.87175940 | 1.4530E-05 | 50.84 |
| -231.87176040 | 1.4522E-05 | 50.88 |
| -231.87176058 | 1.4514E-05 | 50.91 |
| -231.87176037 | 1.4504E-05 | 50.95 |
| -231.87176039 | 1.4496E-05 | 50.99 |
| -231.87176014 | 1.4486E-05 | 51.02 |
| -231.87176039 | 1.4479E-05 | 51.06 |
| -231.87176046 | 1.4473E-05 | 51.10 |
| -231.87176065 | 1.4465E-05 | 51.14 |
| -231.87176032 | 1.4456E-05 | 51.17 |
| -231.87176037 | 1.4447E-05 | 51.21 |
| -231.87176004 | 1.4437E-05 | 51.25 |
| -231.87175989 | 1.4429E-05 | 51.28 |
| -231.87176030 | 1.4420E-05 | 51.32 |
| -231.87176045 | 1.4412E-05 | 51.36 |
| -231.87176075 | 1.4406E-05 | 51.39 |
| -231.87176031 | 1.4396E-05 | 51.43 |
| -231.87176027 | 1.4388E-05 | 51.47 |
| -231.87176038 | 1.4379E-05 | 51.51 |
| -231.87176040 | 1.4371E-05 | 51.54 |
| -231.87176033 | 1.4366E-05 | 51.58 |
| -231.87175961 | 1.4356E-05 | 51.62 |
| -231.87175876 | 1.4344E-05 | 51.65 |
| -231.87175826 | 1.4335E-05 | 51.69 |
| -231.87175821 | 1.4326E-05 | 51.73 |
| -231.87175873 | 1.4320E-05 | 51.77 |
| -231.87175927 | 1.4312E-05 | 51.80 |
| -231.87175990 | 1.4305E-05 | 51.84 |
| -231.87175928 | 1.4297E-05 | 51.88 |
| -231.87175975 | 1.4296E-05 | 51.91 |
| -231.87176013 | 1.4290E-05 | 51.95 |
| -231.87176025 | 1.4282E-05 | 51.99 |
| -231.87176041 | 1.4278E-05 | 52.03 |
| -231.87176098 | 1.4270E-05 | 52.06 |
| -231.87176095 | 1.4262E-05 | 52.10 |
| -231.87176070 | 1.4253E-05 | 52.14 |
| -231.87175505 | 1.3092E-05 | 52.17 |
| -231.87175540 | 1.3085E-05 | 52.21 |
| -231.87175590 | 1.3081E-05 | 52.25 |
| -231.87175534 | 1.3073E-05 | 52.28 |
| -231.87175581 | 1.3067E-05 | 52.32 |
| -231.87175538 | 1.3058E-05 | 52.36 |
| -231.87175504 | 1.3051E-05 | 52.40 |
| -231.87175557 | 1.3045E-05 | 52.43 |
| -231.87175489 | 1.3036E-05 | 52.47 |
| -231.87175532 | 1.3029E-05 | 52.51 |
| -231.87175455 | 1.3018E-05 | 52.54 |
| -231.87175462 | 1.3010E-05 | 52.58 |
| -231.87175489 | 1.3005E-05 | 52.62 |
| -231.87175488 | 1.3005E-05 | 52.66 |
| -231.87175511 | 1.2998E-05 | 52.69 |
| -231.87175575 | 1.2990E-05 | 52.73 |
| -231.87175661 | 1.2987E-05 | 52.77 |
| -231.87175594 | 1.2978E-05 | 52.81 |
| -231.87175610 | 1.2971E-05 | 52.84 |
| -231.87175631 | 1.2963E-05 | 52.88 |
| -231.87175661 | 1.2956E-05 | 52.92 |
| -231.87175677 | 1.2948E-05 | 52.95 |
| -231.87175672 | 1.2939E-05 | 52.99 |
| -231.87175707 | 1.2933E-05 | 53.03 |
| -231.87175710 | 1.2926E-05 | 53.06 |
| -231.87175789 | 1.2923E-05 | 53.10 |
| -231.87175751 | 1.2914E-05 | 53.14 |
| -231.87175768 | 1.2907E-05 | 53.18 |
| -231.87175771 | 1.2899E-05 | 53.21 |
| -231.87175795 | 1.2893E-05 | 53.25 |
| -231.87175790 | 1.2885E-05 | 53.29 |
| -231.87175833 | 1.2879E-05 | 53.32 |
| -231.87175820 | 1.2871E-05 | 53.36 |
| -231.87175841 | 1.2864E-05 | 53.40 |
| -231.87175889 | 1.2858E-05 | 53.44 |
| -231.87175860 | 1.2849E-05 | 53.47 |
| -231.87175803 | 1.2841E-05 | 53.51 |
| -231.87175805 | 1.2832E-05 | 53.55 |
| -231.87175820 | 1.2827E-05 | 53.58 |
| -231.87175887 | 1.2819E-05 | 53.62 |
| -231.87175969 | 1.2814E-05 | 53.66 |
| -231.87175981 | 1.2806E-05 | 53.70 |
| -231.87175954 | 1.2798E-05 | 53.73 |
| -231.87175926 | 1.2790E-05 | 53.77 |
| -231.87175976 | 1.2789E-05 | 53.81 |
| -231.87175974 | 1.2782E-05 | 53.84 |
| -231.87175985 | 1.2775E-05 | 53.88 |
| -231.87176006 | 1.2770E-05 | 53.92 |
| -231.87175970 | 1.2762E-05 | 53.96 |
| -231.87175964 | 1.2755E-05 | 53.99 |
| -231.87175991 | 1.2748E-05 | 54.03 |
| -231.87176026 | 1.2742E-05 | 54.07 |
| -231.87176024 | 1.2736E-05 | 54.10 |
| -231.87176094 | 1.2730E-05 | 54.14 |
| -231.87176122 | 1.2722E-05 | 54.18 |
| -231.87176055 | 1.2713E-05 | 54.21 |
| -231.87176069 | 1.2707E-05 | 54.25 |
| -231.87176324 | 1.1739E-05 | 54.29 |
| -231.87176361 | 1.1732E-05 | 54.33 |
| -231.87176340 | 1.1725E-05 | 54.36 |
| -231.87176328 | 1.1717E-05 | 54.40 |
| -231.87176355 | 1.1710E-05 | 54.44 |
| -231.87176416 | 1.1704E-05 | 54.47 |
| -231.87176420 | 1.1696E-05 | 54.51 |
| -231.87176449 | 1.1688E-05 | 54.55 |
| -231.87176486 | 1.1683E-05 | 54.58 |
| -231.87176534 | 1.1678E-05 | 54.62 |
| -231.87176578 | 1.1671E-05 | 54.66 |
| -231.87176633 | 1.1665E-05 | 54.70 |
| -231.87176616 | 1.1657E-05 | 54.73 |
| -231.87176690 | 1.1653E-05 | 54.77 |
| -231.87176655 | 1.1647E-05 | 54.81 |
| -231.87176621 | 1.1640E-05 | 54.85 |
| -231.87176609 | 1.1634E-05 | 54.88 |
| -231.87176557 | 1.1626E-05 | 54.92 |
| -231.87176518 | 1.1618E-05 | 54.96 |
| -231.87176463 | 1.1609E-05 | 54.99 |
| -231.87176446 | 1.1602E-05 | 55.03 |
| -231.87176451 | 1.1595E-05 | 55.07 |
| -231.87176382 | 1.1587E-05 | 55.11 |
| -231.87176457 | 1.1587E-05 | 55.14 |
| -231.87176528 | 1.1581E-05 | 55.18 |
| -231.87176532 | 1.1574E-05 | 55.22 |
| -231.87176481 | 1.1566E-05 | 55.25 |
| -231.87176497 | 1.1562E-05 | 55.29 |
| -231.87176569 | 1.1557E-05 | 55.33 |
| -231.87176508 | 1.1550E-05 | 55.37 |
| -231.87176462 | 1.1542E-05 | 55.40 |
| -231.87176422 | 1.1534E-05 | 55.44 |
| -231.87176446 | 1.1528E-05 | 55.48 |
| -231.87176423 | 1.1521E-05 | 55.51 |
| -231.87176442 | 1.1514E-05 | 55.55 |
| -231.87176458 | 1.1507E-05 | 55.59 |
| -231.87176470 | 1.1501E-05 | 55.63 |
| -231.87176486 | 1.1495E-05 | 55.66 |
| -231.87176481 | 1.1486E-05 | 55.70 |
| -231.87176512 | 1.1480E-05 | 55.74 |
| -231.87176530 | 1.1473E-05 | 55.77 |
| -231.87176560 | 1.1466E-05 | 55.81 |
| -231.87176526 | 1.1458E-05 | 55.85 |
| -231.87176509 | 1.1451E-05 | 55.89 |
| -231.87176500 | 1.1445E-05 | 55.92 |
| -231.87176453 | 1.1437E-05 | 55.96 |
| -231.87176444 | 1.1432E-05 | 56.00 |
| -231.87176445 | 1.1425E-05 | 56.03 |
| -231.87176420 | 1.1418E-05 | 56.07 |
| -231.87176418 | 1.1411E-05 | 56.11 |
| -231.87176417 | 1.1406E-05 | 56.14 |
| -231.87176423 | 1.1398E-05 | 56.18 |
| -231.87176373 | 1.1391E-05 | 56.22 |
| -231.87176317 | 1.1383E-05 | 56.26 |
| -231.87176128 | 1.0582E-05 | 56.29 |
| -231.87176164 | 1.0579E-05 | 56.33 |
| -231.87176143 | 1.0572E-05 | 56.37 |
| -231.87176130 | 1.0565E-05 | 56.40 |
| -231.87176151 | 1.0559E-05 | 56.44 |
| -231.87176168 | 1.0552E-05 | 56.48 |
| -231.87176121 | 1.0545E-05 | 56.52 |
| -231.87176087 | 1.0537E-05 | 56.55 |
| -231.87176029 | 1.0529E-05 | 56.59 |
| -231.87176015 | 1.0523E-05 | 56.63 |
| -231.87175987 | 1.0517E-05 | 56.66 |
| -231.87175929 | 1.0510E-05 | 56.70 |
| -231.87175895 | 1.0502E-05 | 56.74 |
| -231.87175877 | 1.0496E-05 | 56.78 |
| -231.87175882 | 1.0491E-05 | 56.81 |
| -231.87175885 | 1.0488E-05 | 56.85 |
| -231.87175884 | 1.0481E-05 | 56.89 |
| -231.87175883 | 1.0476E-05 | 56.92 |
| -231.87175883 | 1.0469E-05 | 56.96 |
| -231.87175940 | 1.0465E-05 | 57.00 |
| -231.87175932 | 1.0458E-05 | 57.04 |
| -231.87175925 | 1.0453E-05 | 57.07 |
| -231.87175977 | 1.0450E-05 | 57.11 |
| -231.87175980 | 1.0443E-05 | 57.15 |
| -231.87175974 | 1.0437E-05 | 57.18 |
| -231.87175967 | 1.0431E-05 | 57.22 |
| -231.87175999 | 1.0426E-05 | 57.26 |
| -231.87175987 | 1.0419E-05 | 57.30 |
| -231.87175999 | 1.0412E-05 | 57.33 |
| -231.87176014 | 1.0407E-05 | 57.37 |
| -231.87175984 | 1.0399E-05 | 57.41 |
| -231.87176054 | 1.0395E-05 | 57.44 |
| -231.87176058 | 1.0389E-05 | 57.48 |
| -231.87176085 | 1.0383E-05 | 57.52 |
| -231.87176067 | 1.0379E-05 | 57.56 |
| -231.87176068 | 1.0373E-05 | 57.59 |
| -231.87176046 | 1.0367E-05 | 57.63 |
| -231.87176023 | 1.0361E-05 | 57.67 |
| -231.87176034 | 1.0354E-05 | 57.70 |
| -231.87176068 | 1.0349E-05 | 57.74 |
| -231.87176106 | 1.0345E-05 | 57.78 |
| -231.87176068 | 1.0337E-05 | 57.82 |
| -231.87176007 | 1.0331E-05 | 57.85 |
| -231.87175973 | 1.0325E-05 | 57.89 |
| -231.87175987 | 1.0319E-05 | 57.93 |
| -231.87175943 | 1.0313E-05 | 57.96 |
| -231.87175929 | 1.0306E-05 | 58.00 |
| -231.87175944 | 1.0299E-05 | 58.04 |
| -231.87175881 | 1.0291E-05 | 58.08 |
| -231.87175879 | 1.0285E-05 | 58.11 |
| -231.87175863 | 1.0278E-05 | 58.15 |
| -231.87175600 | 9.5324E-06 | 58.19 |
| -231.87175584 | 9.5266E-06 | 58.22 |
| -231.87175559 | 9.5209E-06 | 58.26 |
| -231.87175507 | 9.5145E-06 | 58.30 |
| -231.87175479 | 9.5079E-06 | 58.34 |
| -231.87175519 | 9.5021E-06 | 58.37 |
| -231.87175525 | 9.4972E-06 | 58.41 |
| -231.87175521 | 9.4916E-06 | 58.45 |
| -231.87175527 | 9.4867E-06 | 58.48 |
| -231.87175500 | 9.4807E-06 | 58.52 |
| -231.87175469 | 9.4747E-06 | 58.56 |
| -231.87175419 | 9.4681E-06 | 58.59 |
| -231.87175407 | 9.4657E-06 | 58.63 |
| -231.87175412 | 9.4605E-06 | 58.67 |
| -231.87175397 | 9.4549E-06 | 58.71 |
| -231.87175400 | 9.4481E-06 | 58.74 |
| -231.87175404 | 9.4427E-06 | 58.78 |
| -231.87175425 | 9.4383E-06 | 58.82 |
| -231.87175442 | 9.4337E-06 | 58.85 |
| -231.87175405 | 9.4285E-06 | 58.89 |
| -231.87175401 | 9.4232E-06 | 58.93 |
| -231.87175429 | 9.4187E-06 | 58.97 |
| -231.87175402 | 9.4121E-06 | 59.00 |
| -231.87175419 | 9.4068E-06 | 59.04 |
| -231.87175391 | 9.4008E-06 | 59.08 |
| -231.87175415 | 9.3957E-06 | 59.12 |
| -231.87175347 | 9.3891E-06 | 59.15 |
| -231.87175376 | 9.3845E-06 | 59.19 |
| -231.87175357 | 9.3797E-06 | 59.23 |
| -231.87175381 | 9.3752E-06 | 59.26 |
| -231.87175373 | 9.3697E-06 | 59.30 |
| -231.87175333 | 9.3638E-06 | 59.34 |
| -231.87175289 | 9.3582E-06 | 59.38 |
| -231.87175248 | 9.3534E-06 | 59.41 |
| -231.87175295 | 9.3480E-06 | 59.45 |
| -231.87175299 | 9.3423E-06 | 59.49 |
| -231.87175335 | 9.3377E-06 | 59.52 |
| -231.87175358 | 9.3335E-06 | 59.56 |
| -231.87175353 | 9.3276E-06 | 59.60 |
| -231.87175382 | 9.3227E-06 | 59.63 |
| -231.87175365 | 9.3178E-06 | 59.67 |
| -231.87175352 | 9.3123E-06 | 59.71 |
| -231.87175301 | 9.3064E-06 | 59.75 |
| -231.87175295 | 9.3009E-06 | 59.78 |
| -231.87175284 | 9.2950E-06 | 59.82 |
| -231.87175234 | 9.2896E-06 | 59.86 |
| -231.87175242 | 9.2853E-06 | 59.89 |
| -231.87175216 | 9.2795E-06 | 59.93 |
| -231.87175503 | 8.7397E-06 | 59.97 |
| -231.87175526 | 8.7349E-06 | 60.01 |
| -231.87175536 | 8.7332E-06 | 60.04 |
| -231.87175554 | 8.7280E-06 | 60.08 |
| -231.87175551 | 8.7240E-06 | 60.12 |
| -231.87175567 | 8.7204E-06 | 60.15 |
| -231.87175566 | 8.7151E-06 | 60.19 |
| -231.87175562 | 8.7102E-06 | 60.23 |
| -231.87175532 | 8.7048E-06 | 60.27 |
| -231.87175528 | 8.7000E-06 | 60.30 |
| -231.87175565 | 8.6943E-06 | 60.34 |
| -231.87175566 | 8.6891E-06 | 60.38 |
| -231.87175567 | 8.6849E-06 | 60.41 |
| -231.87175559 | 8.6800E-06 | 60.45 |
| -231.87175566 | 8.6740E-06 | 60.49 |
| -231.87175550 | 8.6694E-06 | 60.53 |
| -231.87175559 | 8.6644E-06 | 60.56 |
| -231.87175552 | 8.6596E-06 | 60.60 |
| -231.87175546 | 8.6546E-06 | 60.64 |
| -231.87175545 | 8.6499E-06 | 60.67 |
| -231.87175569 | 8.6451E-06 | 60.71 |
| -231.87175539 | 8.6398E-06 | 60.75 |
| -231.87175537 | 8.6350E-06 | 60.79 |
| -231.87175519 | 8.6297E-06 | 60.82 |
| -231.87175502 | 8.6244E-06 | 60.86 |
| -231.87175473 | 8.6194E-06 | 60.90 |
| -231.87175518 | 8.6156E-06 | 60.93 |
| -231.87175541 | 8.6114E-06 | 60.97 |
| -231.87175563 | 8.6065E-06 | 61.01 |
| -231.87175545 | 8.6013E-06 | 61.04 |
| -231.87175575 | 8.5975E-06 | 61.08 |
| -231.87175577 | 8.5930E-06 | 61.12 |
| -231.87175613 | 8.5889E-06 | 61.15 |
| -231.87175615 | 8.5839E-06 | 61.19 |
| -231.87175654 | 8.5789E-06 | 61.23 |
| -231.87175650 | 8.5736E-06 | 61.27 |
| -231.87175641 | 8.5675E-06 | 61.30 |
| -231.87175639 | 8.5629E-06 | 61.34 |
| -231.87175615 | 8.5571E-06 | 61.38 |
| -231.87175570 | 8.5509E-06 | 61.41 |
| -231.87175562 | 8.5462E-06 | 61.45 |
| -231.87175567 | 8.5411E-06 | 61.49 |
| -231.87175563 | 8.5374E-06 | 61.53 |
| -231.87175538 | 8.5321E-06 | 61.56 |
| -231.87175469 | 8.5261E-06 | 61.60 |
| -231.87175475 | 8.5211E-06 | 61.64 |
| -231.87175505 | 8.5170E-06 | 61.68 |
| -231.87175233 | 7.9877E-06 | 61.71 |
| -231.87175182 | 7.9821E-06 | 61.75 |
| -231.87175165 | 7.9777E-06 | 61.79 |
| -231.87175154 | 7.9734E-06 | 61.82 |
| -231.87175169 | 7.9688E-06 | 61.86 |
| -231.87175141 | 7.9635E-06 | 61.90 |
| -231.87175132 | 7.9600E-06 | 61.93 |
| -231.87175140 | 7.9555E-06 | 61.97 |
| -231.87175128 | 7.9505E-06 | 62.01 |
| -231.87175154 | 7.9457E-06 | 62.05 |
| -231.87175152 | 7.9418E-06 | 62.08 |
| -231.87175136 | 7.9366E-06 | 62.12 |
| -231.87175126 | 7.9321E-06 | 62.16 |
| -231.87175128 | 7.9285E-06 | 62.19 |
| -231.87175124 | 7.9240E-06 | 62.23 |
| -231.87175163 | 7.9193E-06 | 62.27 |
| -231.87175159 | 7.9145E-06 | 62.31 |
| -231.87175159 | 7.9105E-06 | 62.34 |
| -231.87175175 | 7.9062E-06 | 62.38 |
| -231.87175149 | 7.9025E-06 | 62.42 |
| -231.87175122 | 7.8972E-06 | 62.45 |
| -231.87175123 | 7.8934E-06 | 62.49 |
| -231.87175101 | 7.8888E-06 | 62.53 |
| -231.87175070 | 7.8842E-06 | 62.57 |
| -231.87175063 | 7.8795E-06 | 62.60 |
| -231.87175036 | 7.8742E-06 | 62.64 |
| -231.87175036 | 7.8694E-06 | 62.68 |
| -231.87175040 | 7.8645E-06 | 62.71 |
| -231.87174989 | 7.8594E-06 | 62.75 |
| -231.87174978 | 7.8546E-06 | 62.79 |
| -231.87174964 | 7.8498E-06 | 62.83 |
| -231.87174947 | 7.8447E-06 | 62.86 |
| -231.87174940 | 7.8406E-06 | 62.90 |
| -231.87174933 | 7.8365E-06 | 62.94 |
| -231.87174939 | 7.8319E-06 | 62.98 |
| -231.87174909 | 7.8270E-06 | 63.01 |
| -231.87174877 | 7.8222E-06 | 63.05 |
| -231.87174922 | 7.8182E-06 | 63.09 |
| -231.87174907 | 7.8151E-06 | 63.12 |
| -231.87174902 | 7.8100E-06 | 63.16 |
| -231.87174878 | 7.8048E-06 | 63.20 |
| -231.87174852 | 7.7997E-06 | 63.23 |
| -231.87174847 | 7.7948E-06 | 63.27 |
| -231.87174834 | 7.7902E-06 | 63.31 |
| -231.87174845 | 7.3302E-06 | 63.34 |
| -231.87174822 | 7.3257E-06 | 63.38 |
| -231.87174779 | 7.3211E-06 | 63.42 |
| -231.87174772 | 7.3176E-06 | 63.46 |
| -231.87174767 | 7.3132E-06 | 63.49 |
| -231.87174773 | 7.3101E-06 | 63.53 |
| -231.87174829 | 7.3068E-06 | 63.57 |
| -231.87174822 | 7.3022E-06 | 63.60 |
| -231.87174794 | 7.2979E-06 | 63.64 |
| -231.87174801 | 7.2933E-06 | 63.68 |
| -231.87174780 | 7.2888E-06 | 63.72 |
| -231.87174742 | 7.2843E-06 | 63.75 |
| -231.87174704 | 7.2806E-06 | 63.79 |
| -231.87174713 | 7.2756E-06 | 63.83 |
| -231.87174712 | 7.2716E-06 | 63.86 |
| -231.87174708 | 7.2681E-06 | 63.90 |
| -231.87174684 | 7.2647E-06 | 63.94 |
| -231.87174677 | 7.2604E-06 | 63.97 |
| -231.87174646 | 7.2559E-06 | 64.01 |
| -231.87174659 | 7.2516E-06 | 64.05 |
| -231.87174653 | 7.2475E-06 | 64.09 |
| -231.87174638 | 7.2428E-06 | 64.12 |
| -231.87174607 | 7.2380E-06 | 64.16 |
| -231.87174574 | 7.2332E-06 | 64.20 |
| -231.87174559 | 7.2289E-06 | 64.24 |
| -231.87174574 | 7.2255E-06 | 64.27 |
| -231.87174584 | 7.2217E-06 | 64.31 |
| -231.87174595 | 7.2186E-06 | 64.35 |
| -231.87174585 | 7.2146E-06 | 64.38 |
| -231.87174580 | 7.2108E-06 | 64.42 |
| -231.87174616 | 7.2097E-06 | 64.46 |
| -231.87174639 | 7.2057E-06 | 64.49 |
| -231.87174637 | 7.2012E-06 | 64.53 |
| -231.87174601 | 7.1966E-06 | 64.57 |
| -231.87174612 | 7.1927E-06 | 64.61 |
| -231.87174619 | 7.1886E-06 | 64.64 |
| -231.87174640 | 7.1848E-06 | 64.68 |
| -231.87174613 | 7.1810E-06 | 64.72 |
| -231.87174603 | 7.1775E-06 | 64.75 |
| -231.87174594 | 7.1729E-06 | 64.79 |
| -231.87174610 | 7.1693E-06 | 64.83 |
| -231.87174589 | 7.1654E-06 | 64.86 |
| -231.87174569 | 7.1613E-06 | 64.90 |
| -231.87174558 | 7.1574E-06 | 64.94 |
| -231.87174688 | 6.7789E-06 | 64.98 |
| -231.87174703 | 6.7761E-06 | 65.01 |
| -231.87174743 | 6.7727E-06 | 65.05 |
| -231.87174756 | 6.7686E-06 | 65.09 |
| -231.87174728 | 6.7643E-06 | 65.12 |
| -231.87174731 | 6.7607E-06 | 65.16 |
| -231.87174717 | 6.7566E-06 | 65.20 |
| -231.87174737 | 6.7532E-06 | 65.24 |
| -231.87174739 | 6.7500E-06 | 65.27 |
| -231.87174746 | 6.7463E-06 | 65.31 |
| -231.87174766 | 6.7430E-06 | 65.35 |
| -231.87174769 | 6.7400E-06 | 65.38 |
| -231.87174808 | 6.7372E-06 | 65.42 |
| -231.87174808 | 6.7335E-06 | 65.46 |
| -231.87174814 | 6.7300E-06 | 65.50 |
| -231.87174802 | 6.7263E-06 | 65.53 |
| -231.87174791 | 6.7225E-06 | 65.57 |
| -231.87174771 | 6.7185E-06 | 65.61 |
| -231.87174761 | 6.7143E-06 | 65.64 |
| -231.87174749 | 6.7107E-06 | 65.68 |
| -231.87174756 | 6.7068E-06 | 65.72 |
| -231.87174778 | 6.7033E-06 | 65.76 |
| -231.87174789 | 6.6991E-06 | 65.79 |
| -231.87174793 | 6.6948E-06 | 65.83 |
| -231.87174761 | 6.6908E-06 | 65.87 |
| -231.87174799 | 6.6878E-06 | 65.90 |
| -231.87174813 | 6.6844E-06 | 65.94 |
| -231.87174845 | 6.6814E-06 | 65.98 |
| -231.87174795 | 6.6769E-06 | 66.02 |
| -231.87174790 | 6.6730E-06 | 66.05 |
| -231.87174810 | 6.6691E-06 | 66.09 |
| -231.87174843 | 6.6656E-06 | 66.13 |
| -231.87174838 | 6.6623E-06 | 66.16 |
| -231.87174845 | 6.6586E-06 | 66.20 |
| -231.87174871 | 6.6544E-06 | 66.24 |
| -231.87174866 | 6.6502E-06 | 66.28 |
| -231.87174859 | 6.6457E-06 | 66.31 |
| -231.87174811 | 6.6412E-06 | 66.35 |
| -231.87174817 | 6.6372E-06 | 66.39 |
| -231.87174803 | 6.6334E-06 | 66.42 |
| -231.87174850 | 6.2884E-06 | 66.46 |
| -231.87174853 | 6.2848E-06 | 66.50 |
| -231.87174856 | 6.2810E-06 | 66.53 |
| -231.87174843 | 6.2778E-06 | 66.57 |
| -231.87174845 | 6.2748E-06 | 66.61 |
| -231.87174843 | 6.2713E-06 | 66.65 |
| -231.87174830 | 6.2676E-06 | 66.68 |
| -231.87174807 | 6.2638E-06 | 66.72 |
| -231.87174817 | 6.2601E-06 | 66.76 |
| -231.87174800 | 6.2568E-06 | 66.79 |
| -231.87174786 | 6.2529E-06 | 66.83 |
| -231.87174785 | 6.2485E-06 | 66.87 |
| -231.87174789 | 6.2447E-06 | 66.91 |
| -231.87174797 | 6.2417E-06 | 66.94 |
| -231.87174763 | 6.2379E-06 | 66.98 |
| -231.87174780 | 6.2343E-06 | 67.02 |
| -231.87174763 | 6.2305E-06 | 67.05 |
| -231.87174739 | 6.2263E-06 | 67.09 |
| -231.87174726 | 6.2224E-06 | 67.13 |
| -231.87174729 | 6.2189E-06 | 67.16 |
| -231.87174751 | 6.2163E-06 | 67.20 |
| -231.87174740 | 6.2125E-06 | 67.24 |
| -231.87174727 | 6.2082E-06 | 67.27 |
| -231.87174673 | 6.2036E-06 | 67.31 |
| -231.87174684 | 6.2001E-06 | 67.35 |
| -231.87174722 | 6.1971E-06 | 67.39 |
| -231.87174708 | 6.1936E-06 | 67.42 |
| -231.87174722 | 6.1901E-06 | 67.46 |
| -231.87174698 | 6.1863E-06 | 67.50 |
| -231.87174735 | 6.1831E-06 | 67.53 |
| -231.87174754 | 6.1797E-06 | 67.57 |
| -231.87174757 | 6.1761E-06 | 67.61 |
| -231.87174778 | 6.1731E-06 | 67.64 |
| -231.87174749 | 6.1690E-06 | 67.68 |
| -231.87174750 | 6.1652E-06 | 67.72 |
| -231.87174760 | 6.1627E-06 | 67.76 |
| -231.87174769 | 6.1603E-06 | 67.79 |
| -231.87174751 | 6.1568E-06 | 67.83 |
| -231.87174856 | 5.8978E-06 | 67.87 |
| -231.87174840 | 5.8949E-06 | 67.90 |
| -231.87174837 | 5.8909E-06 | 67.94 |
| -231.87174819 | 5.8866E-06 | 67.98 |
| -231.87174821 | 5.8835E-06 | 68.01 |
| -231.87174827 | 5.8803E-06 | 68.05 |
| -231.87174817 | 5.8769E-06 | 68.09 |
| -231.87174783 | 5.8732E-06 | 68.13 |
| -231.87174787 | 5.8698E-06 | 68.16 |
| -231.87174797 | 5.8664E-06 | 68.20 |
| -231.87174770 | 5.8629E-06 | 68.24 |
| -231.87174742 | 5.8589E-06 | 68.28 |
| -231.87174730 | 5.8552E-06 | 68.31 |
| -231.87174725 | 5.8515E-06 | 68.35 |
| -231.87174706 | 5.8480E-06 | 68.39 |
| -231.87174696 | 5.8449E-06 | 68.43 |
| -231.87174687 | 5.8418E-06 | 68.46 |
| -231.87174661 | 5.8374E-06 | 68.50 |
| -231.87174658 | 5.8338E-06 | 68.54 |
| -231.87174647 | 5.8298E-06 | 68.57 |
| -231.87174631 | 5.8265E-06 | 68.61 |
| -231.87174632 | 5.8229E-06 | 68.65 |
| -231.87174633 | 5.8195E-06 | 68.68 |
| -231.87174624 | 5.8159E-06 | 68.72 |
| -231.87174627 | 5.8130E-06 | 68.76 |
| -231.87174639 | 5.8098E-06 | 68.80 |
| -231.87174664 | 5.8070E-06 | 68.83 |
| -231.87174670 | 5.8042E-06 | 68.87 |
| -231.87174659 | 5.8012E-06 | 68.91 |
| -231.87174626 | 5.7976E-06 | 68.94 |
| -231.87174624 | 5.7940E-06 | 68.98 |
| -231.87174590 | 5.7907E-06 | 69.02 |
| -231.87174597 | 5.7878E-06 | 69.05 |
| -231.87174615 | 5.7846E-06 | 69.09 |
| -231.87174642 | 5.7821E-06 | 69.13 |
| -231.87174627 | 5.7787E-06 | 69.16 |
| -231.87174651 | 5.7754E-06 | 69.20 |
| -231.87174723 | 5.5254E-06 | 69.24 |
| -231.87174709 | 5.5220E-06 | 69.28 |
| -231.87174692 | 5.5187E-06 | 69.31 |
| -231.87174695 | 5.5158E-06 | 69.35 |
| -231.87174685 | 5.5128E-06 | 69.39 |
| -231.87174693 | 5.5094E-06 | 69.42 |
| -231.87174706 | 5.5060E-06 | 69.46 |
| -231.87174706 | 5.5026E-06 | 69.50 |
| -231.87174739 | 5.5000E-06 | 69.54 |
| -231.87174780 | 5.4973E-06 | 69.57 |
| -231.87174779 | 5.4938E-06 | 69.61 |
| -231.87174774 | 5.4904E-06 | 69.65 |
| -231.87174768 | 5.4875E-06 | 69.68 |
| -231.87174767 | 5.4843E-06 | 69.72 |
| -231.87174764 | 5.4812E-06 | 69.76 |
| -231.87174742 | 5.4780E-06 | 69.80 |
| -231.87174713 | 5.4747E-06 | 69.83 |
| -231.87174701 | 5.4716E-06 | 69.87 |
| -231.87174717 | 5.4695E-06 | 69.91 |
| -231.87174737 | 5.4666E-06 | 69.94 |
| -231.87174741 | 5.4634E-06 | 69.98 |
| -231.87174776 | 5.4607E-06 | 70.02 |
| -231.87174790 | 5.4579E-06 | 70.06 |
| -231.87174781 | 5.4552E-06 | 70.09 |
| -231.87174787 | 5.4522E-06 | 70.13 |
| -231.87174774 | 5.4485E-06 | 70.17 |
| -231.87174770 | 5.4455E-06 | 70.20 |
| -231.87174754 | 5.4425E-06 | 70.24 |
| -231.87174739 | 5.4397E-06 | 70.28 |
| -231.87174730 | 5.4359E-06 | 70.31 |
| -231.87174715 | 5.4324E-06 | 70.35 |
| -231.87174733 | 5.4291E-06 | 70.39 |
| -231.87174714 | 5.4260E-06 | 70.42 |
| -231.87174715 | 5.4229E-06 | 70.46 |
| -231.87174706 | 5.4193E-06 | 70.50 |
| -231.87174591 | 5.1851E-06 | 70.54 |
| -231.87174581 | 5.1819E-06 | 70.57 |
| -231.87174577 | 5.1788E-06 | 70.61 |
| -231.87174611 | 5.1769E-06 | 70.65 |
| -231.87174635 | 5.1749E-06 | 70.68 |
| -231.87174645 | 5.1719E-06 | 70.72 |
| -231.87174644 | 5.1692E-06 | 70.76 |
| -231.87174656 | 5.1667E-06 | 70.80 |
| -231.87174655 | 5.1636E-06 | 70.83 |
| -231.87174656 | 5.1607E-06 | 70.87 |
| -231.87174655 | 5.1581E-06 | 70.91 |
| -231.87174634 | 5.1544E-06 | 70.94 |
| -231.87174660 | 5.1517E-06 | 70.98 |
| -231.87174655 | 5.1484E-06 | 71.02 |
| -231.87174680 | 5.1460E-06 | 71.06 |
| -231.87174697 | 5.1426E-06 | 71.09 |
| -231.87174685 | 5.1396E-06 | 71.13 |
| -231.87174666 | 5.1366E-06 | 71.17 |
| -231.87174694 | 5.1338E-06 | 71.20 |
| -231.87174703 | 5.1310E-06 | 71.24 |
| -231.87174716 | 5.1280E-06 | 71.28 |
| -231.87174717 | 5.1249E-06 | 71.31 |
| -231.87174728 | 5.1222E-06 | 71.35 |
| -231.87174725 | 5.1194E-06 | 71.39 |
| -231.87174741 | 5.1166E-06 | 71.43 |
| -231.87174736 | 5.1133E-06 | 71.46 |
| -231.87174713 | 5.1100E-06 | 71.50 |
| -231.87174714 | 5.1069E-06 | 71.54 |
| -231.87174714 | 5.1039E-06 | 71.57 |
| -231.87174726 | 5.1011E-06 | 71.61 |
| -231.87174729 | 5.0983E-06 | 71.65 |
| -231.87174732 | 5.0957E-06 | 71.68 |
| -231.87174733 | 5.0931E-06 | 71.72 |
| -231.87174710 | 5.0898E-06 | 71.76 |
| -231.87174736 | 4.8694E-06 | 71.80 |
| -231.87174736 | 4.8668E-06 | 71.83 |
| -231.87174736 | 4.8634E-06 | 71.87 |
| -231.87174756 | 4.8612E-06 | 71.91 |
| -231.87174766 | 4.8585E-06 | 71.94 |
| -231.87174761 | 4.8555E-06 | 71.98 |
| -231.87174767 | 4.8529E-06 | 72.02 |
| -231.87174774 | 4.8503E-06 | 72.05 |
| -231.87174780 | 4.8477E-06 | 72.09 |
| -231.87174783 | 4.8453E-06 | 72.13 |
| -231.87174800 | 4.8427E-06 | 72.17 |
| -231.87174797 | 4.8396E-06 | 72.20 |
| -231.87174823 | 4.8375E-06 | 72.24 |
| -231.87174820 | 4.8346E-06 | 72.28 |
| -231.87174802 | 4.8316E-06 | 72.31 |
| -231.87174788 | 4.8284E-06 | 72.35 |
| -231.87174785 | 4.8258E-06 | 72.39 |
| -231.87174797 | 4.8230E-06 | 72.42 |
| -231.87174816 | 4.8202E-06 | 72.46 |
| -231.87174814 | 4.8173E-06 | 72.50 |
| -231.87174833 | 4.8145E-06 | 72.54 |
| -231.87174834 | 4.8120E-06 | 72.57 |
| -231.87174829 | 4.8090E-06 | 72.61 |
| -231.87174833 | 4.8065E-06 | 72.65 |
| -231.87174819 | 4.8036E-06 | 72.69 |
| -231.87174825 | 4.8014E-06 | 72.72 |
| -231.87174831 | 4.7986E-06 | 72.76 |
| -231.87174843 | 4.7963E-06 | 72.80 |
| -231.87174862 | 4.7935E-06 | 72.83 |
| -231.87174863 | 4.7906E-06 | 72.87 |
| -231.87174869 | 4.7877E-06 | 72.91 |
| -231.87174927 | 4.5944E-06 | 72.95 |
| -231.87174910 | 4.5916E-06 | 72.98 |
| -231.87174906 | 4.5887E-06 | 73.02 |
| -231.87174910 | 4.5862E-06 | 73.06 |
| -231.87174897 | 4.5835E-06 | 73.09 |
| -231.87174889 | 4.5809E-06 | 73.13 |
| -231.87174882 | 4.5780E-06 | 73.17 |
| -231.87174888 | 4.5752E-06 | 73.20 |
| -231.87174887 | 4.5726E-06 | 73.24 |
| -231.87174901 | 4.5697E-06 | 73.28 |
| -231.87174899 | 4.5672E-06 | 73.32 |
| -231.87174908 | 4.5645E-06 | 73.35 |
| -231.87174873 | 4.5612E-06 | 73.39 |
| -231.87174836 | 4.5580E-06 | 73.43 |
| -231.87174825 | 4.5558E-06 | 73.46 |
| -231.87174817 | 4.5531E-06 | 73.50 |
| -231.87174827 | 4.5510E-06 | 73.54 |
| -231.87174832 | 4.5483E-06 | 73.58 |
| -231.87174836 | 4.5457E-06 | 73.61 |
| -231.87174843 | 4.5431E-06 | 73.65 |
| -231.87174867 | 4.5411E-06 | 73.69 |
| -231.87174841 | 4.5379E-06 | 73.72 |
| -231.87174819 | 4.5347E-06 | 73.76 |
| -231.87174830 | 4.5321E-06 | 73.80 |
| -231.87174838 | 4.5296E-06 | 73.84 |
| -231.87174832 | 4.5266E-06 | 73.87 |
| -231.87174850 | 4.5241E-06 | 73.91 |
| -231.87174866 | 4.5219E-06 | 73.95 |
| -231.87174855 | 4.5191E-06 | 73.98 |
| -231.87174868 | 4.5164E-06 | 74.02 |
| -231.87174643 | 4.3161E-06 | 74.06 |
| -231.87174665 | 4.3137E-06 | 74.10 |
| -231.87174687 | 4.3114E-06 | 74.13 |
| -231.87174690 | 4.3086E-06 | 74.17 |
| -231.87174718 | 4.3062E-06 | 74.21 |
| -231.87174717 | 4.3039E-06 | 74.25 |
| -231.87174699 | 4.3010E-06 | 74.28 |
| -231.87174689 | 4.2986E-06 | 74.32 |
| -231.87174690 | 4.2961E-06 | 74.36 |
| -231.87174684 | 4.2935E-06 | 74.39 |
| -231.87174683 | 4.2909E-06 | 74.43 |
| -231.87174698 | 4.2885E-06 | 74.47 |
| -231.87174692 | 4.2858E-06 | 74.50 |
| -231.87174699 | 4.2832E-06 | 74.54 |
| -231.87174706 | 4.2809E-06 | 74.58 |
| -231.87174689 | 4.2782E-06 | 74.62 |
| -231.87174692 | 4.2756E-06 | 74.65 |
| -231.87174697 | 4.2744E-06 | 74.69 |
| -231.87174669 | 4.2714E-06 | 74.73 |
| -231.87174657 | 4.2685E-06 | 74.76 |
| -231.87174631 | 4.2655E-06 | 74.80 |
| -231.87174607 | 4.2625E-06 | 74.84 |
| -231.87174613 | 4.2603E-06 | 74.88 |
| -231.87174602 | 4.2574E-06 | 74.91 |
| -231.87174602 | 4.2549E-06 | 74.95 |
| -231.87174640 | 4.2535E-06 | 74.99 |
| -231.87174659 | 4.2516E-06 | 75.02 |
| -231.87174662 | 4.2494E-06 | 75.06 |
| -231.87174652 | 4.2468E-06 | 75.10 |
| -231.87174436 | 4.0398E-06 | 75.14 |
| -231.87174450 | 4.0379E-06 | 75.17 |
| -231.87174443 | 4.0356E-06 | 75.21 |
| -231.87174439 | 4.0331E-06 | 75.25 |
| -231.87174430 | 4.0304E-06 | 75.28 |
| -231.87174428 | 4.0279E-06 | 75.32 |
| -231.87174441 | 4.0253E-06 | 75.36 |
| -231.87174451 | 4.0231E-06 | 75.39 |
| -231.87174456 | 4.0203E-06 | 75.43 |
| -231.87174471 | 4.0179E-06 | 75.47 |
| -231.87174467 | 4.0154E-06 | 75.51 |
| -231.87174466 | 4.0128E-06 | 75.54 |
| -231.87174464 | 4.0103E-06 | 75.58 |
| -231.87174459 | 4.0076E-06 | 75.62 |
| -231.87174479 | 4.0053E-06 | 75.65 |
| -231.87174465 | 4.0026E-06 | 75.69 |
| -231.87174485 | 4.0003E-06 | 75.73 |
| -231.87174464 | 3.9977E-06 | 75.77 |
| -231.87174465 | 3.9954E-06 | 75.80 |
| -231.87174452 | 3.9930E-06 | 75.84 |
| -231.87174435 | 3.9903E-06 | 75.88 |
| -231.87174433 | 3.9877E-06 | 75.91 |
| -231.87174441 | 3.9858E-06 | 75.95 |
| -231.87174439 | 3.9829E-06 | 75.99 |
| -231.87174435 | 3.9805E-06 | 76.02 |
| -231.87174427 | 3.9777E-06 | 76.06 |
| -231.87174435 | 3.9752E-06 | 76.10 |
| -231.87174501 | 3.7981E-06 | 76.14 |
| -231.87174496 | 3.7955E-06 | 76.17 |
| -231.87174486 | 3.7931E-06 | 76.21 |
| -231.87174504 | 3.7911E-06 | 76.25 |
| -231.87174510 | 3.7888E-06 | 76.28 |
| -231.87174513 | 3.7864E-06 | 76.32 |
| -231.87174511 | 3.7839E-06 | 76.36 |
| -231.87174510 | 3.7815E-06 | 76.39 |
| -231.87174507 | 3.7791E-06 | 76.43 |
| -231.87174510 | 3.7768E-06 | 76.47 |
| -231.87174512 | 3.7744E-06 | 76.51 |
| -231.87174523 | 3.7725E-06 | 76.54 |
| -231.87174547 | 3.7706E-06 | 76.58 |
| -231.87174551 | 3.7683E-06 | 76.62 |
| -231.87174525 | 3.7657E-06 | 76.65 |
| -231.87174535 | 3.7632E-06 | 76.69 |
| -231.87174521 | 3.7607E-06 | 76.73 |
| -231.87174508 | 3.7582E-06 | 76.76 |
| -231.87174509 | 3.7557E-06 | 76.80 |
| -231.87174517 | 3.7535E-06 | 76.84 |
| -231.87174523 | 3.7510E-06 | 76.88 |
| -231.87174532 | 3.7493E-06 | 76.91 |
| -231.87174540 | 3.7470E-06 | 76.95 |
| -231.87174537 | 3.7447E-06 | 76.99 |
| -231.87174560 | 3.7428E-06 | 77.03 |
| -231.87174554 | 3.7401E-06 | 77.06 |
| -231.87174491 | 3.5624E-06 | 77.10 |
| -231.87174500 | 3.5606E-06 | 77.14 |
| -231.87174510 | 3.5583E-06 | 77.17 |
| -231.87174504 | 3.5562E-06 | 77.21 |
| -231.87174518 | 3.5545E-06 | 77.25 |
| -231.87174511 | 3.5522E-06 | 77.28 |
| -231.87174495 | 3.5497E-06 | 77.32 |
| -231.87174486 | 3.5475E-06 | 77.36 |
| -231.87174496 | 3.5458E-06 | 77.40 |
| -231.87174502 | 3.5437E-06 | 77.43 |
| -231.87174497 | 3.5416E-06 | 77.47 |
| -231.87174504 | 3.5394E-06 | 77.51 |
| -231.87174493 | 3.5372E-06 | 77.54 |
| -231.87174518 | 3.5354E-06 | 77.58 |
| -231.87174517 | 3.5335E-06 | 77.62 |
| -231.87174509 | 3.5315E-06 | 77.66 |
| -231.87174537 | 3.5298E-06 | 77.69 |
| -231.87174553 | 3.5278E-06 | 77.73 |
| -231.87174569 | 3.5258E-06 | 77.77 |
| -231.87174569 | 3.5240E-06 | 77.80 |
| -231.87174583 | 3.5225E-06 | 77.84 |
| -231.87174581 | 3.5203E-06 | 77.88 |
| -231.87174574 | 3.5180E-06 | 77.92 |
| -231.87174576 | 3.5159E-06 | 77.95 |
| -231.87174563 | 3.5132E-06 | 77.99 |
| -231.87174561 | 3.3602E-06 | 78.03 |
| -231.87174552 | 3.3579E-06 | 78.06 |
| -231.87174556 | 3.3560E-06 | 78.10 |
| -231.87174554 | 3.3540E-06 | 78.14 |
| -231.87174556 | 3.3517E-06 | 78.18 |
| -231.87174562 | 3.3495E-06 | 78.21 |
| -231.87174559 | 3.3473E-06 | 78.25 |
| -231.87174559 | 3.3452E-06 | 78.29 |
| -231.87174557 | 3.3432E-06 | 78.32 |
| -231.87174558 | 3.3411E-06 | 78.36 |
| -231.87174554 | 3.3388E-06 | 78.40 |
| -231.87174557 | 3.3367E-06 | 78.44 |
| -231.87174561 | 3.3345E-06 | 78.48 |
| -231.87174576 | 3.3330E-06 | 78.51 |
| -231.87174572 | 3.3306E-06 | 78.55 |
| -231.87174566 | 3.3287E-06 | 78.59 |
| -231.87174599 | 3.3271E-06 | 78.62 |
| -231.87174617 | 3.3252E-06 | 78.66 |
| -231.87174623 | 3.3233E-06 | 78.70 |
| -231.87174623 | 3.3213E-06 | 78.73 |
| -231.87174614 | 3.3191E-06 | 78.77 |
| -231.87174604 | 3.3166E-06 | 78.81 |
| -231.87174593 | 3.3143E-06 | 78.85 |
| -231.87174560 | 3.1727E-06 | 78.88 |
| -231.87174543 | 3.1702E-06 | 78.92 |
| -231.87174540 | 3.1681E-06 | 78.96 |
| -231.87174539 | 3.1661E-06 | 78.99 |
| -231.87174530 | 3.1642E-06 | 79.03 |
| -231.87174517 | 3.1616E-06 | 79.07 |
| -231.87174534 | 3.1599E-06 | 79.11 |
| -231.87174537 | 3.1579E-06 | 79.14 |
| -231.87174552 | 3.1564E-06 | 79.18 |
| -231.87174536 | 3.1543E-06 | 79.22 |
| -231.87174547 | 3.1524E-06 | 79.25 |
| -231.87174546 | 3.1502E-06 | 79.29 |
| -231.87174553 | 3.1482E-06 | 79.33 |
| -231.87174544 | 3.1460E-06 | 79.36 |
| -231.87174549 | 3.1440E-06 | 79.40 |
| -231.87174530 | 3.1418E-06 | 79.44 |
| -231.87174538 | 3.1403E-06 | 79.48 |
| -231.87174538 | 3.1382E-06 | 79.51 |
| -231.87174529 | 3.1360E-06 | 79.55 |
| -231.87174509 | 3.1337E-06 | 79.59 |
| -231.87174511 | 3.1317E-06 | 79.62 |
| -231.87174506 | 3.1295E-06 | 79.66 |
| -231.87174487 | 3.1275E-06 | 79.70 |
| -231.87174520 | 2.9957E-06 | 79.74 |
| -231.87174513 | 2.9936E-06 | 79.77 |
| -231.87174510 | 2.9919E-06 | 79.81 |
| -231.87174505 | 2.9900E-06 | 79.85 |
| -231.87174519 | 2.9885E-06 | 79.88 |
| -231.87174519 | 2.9862E-06 | 79.92 |
| -231.87174551 | 2.9847E-06 | 79.96 |
| -231.87174550 | 2.9833E-06 | 80.00 |
| -231.87174535 | 2.9814E-06 | 80.03 |
| -231.87174528 | 2.9793E-06 | 80.07 |
| -231.87174532 | 2.9773E-06 | 80.11 |
| -231.87174547 | 2.9756E-06 | 80.14 |
| -231.87174542 | 2.9735E-06 | 80.18 |
| -231.87174543 | 2.9717E-06 | 80.22 |
| -231.87174521 | 2.9694E-06 | 80.26 |
| -231.87174521 | 2.9678E-06 | 80.29 |
| -231.87174503 | 2.9658E-06 | 80.33 |
| -231.87174489 | 2.9636E-06 | 80.37 |
| -231.87174512 | 2.9621E-06 | 80.40 |
| -231.87174516 | 2.9601E-06 | 80.44 |
| -231.87174517 | 2.9585E-06 | 80.48 |
| -231.87174430 | 2.8436E-06 | 80.52 |
| -231.87174423 | 2.8417E-06 | 80.55 |
| -231.87174421 | 2.8399E-06 | 80.59 |
| -231.87174424 | 2.8383E-06 | 80.63 |
| -231.87174414 | 2.8362E-06 | 80.66 |
| -231.87174425 | 2.8346E-06 | 80.70 |
| -231.87174409 | 2.8325E-06 | 80.74 |
| -231.87174420 | 2.8314E-06 | 80.78 |
| -231.87174420 | 2.8297E-06 | 80.81 |
| -231.87174411 | 2.8278E-06 | 80.85 |
| -231.87174422 | 2.8264E-06 | 80.89 |
| -231.87174415 | 2.8242E-06 | 80.92 |
| -231.87174415 | 2.8225E-06 | 80.96 |
| -231.87174407 | 2.8206E-06 | 81.00 |
| -231.87174400 | 2.8190E-06 | 81.03 |
| -231.87174392 | 2.8173E-06 | 81.07 |
| -231.87174388 | 2.8153E-06 | 81.11 |
| -231.87174385 | 2.8133E-06 | 81.14 |
| -231.87174378 | 2.8113E-06 | 81.18 |
| -231.87174389 | 2.8097E-06 | 81.22 |
| -231.87174378 | 2.8078E-06 | 81.26 |
| -231.87174429 | 2.7028E-06 | 81.29 |
| -231.87174426 | 2.7010E-06 | 81.33 |
| -231.87174416 | 2.6990E-06 | 81.37 |
| -231.87174425 | 2.6973E-06 | 81.41 |
| -231.87174441 | 2.6956E-06 | 81.44 |
| -231.87174442 | 2.6939E-06 | 81.48 |
| -231.87174437 | 2.6918E-06 | 81.52 |
| -231.87174446 | 2.6897E-06 | 81.55 |
| -231.87174459 | 2.6885E-06 | 81.59 |
| -231.87174456 | 2.6867E-06 | 81.63 |
| -231.87174451 | 2.6847E-06 | 81.67 |
| -231.87174445 | 2.6830E-06 | 81.70 |
| -231.87174450 | 2.6812E-06 | 81.74 |
| -231.87174434 | 2.6791E-06 | 81.78 |
| -231.87174439 | 2.6775E-06 | 81.82 |
| -231.87174441 | 2.6759E-06 | 81.85 |
| -231.87174444 | 2.6742E-06 | 81.89 |
| -231.87174451 | 2.6730E-06 | 81.93 |
| -231.87174458 | 2.6713E-06 | 81.96 |
| -231.87174454 | 2.5721E-06 | 82.00 |
| -231.87174455 | 2.5705E-06 | 82.04 |
| -231.87174440 | 2.5685E-06 | 82.08 |
| -231.87174443 | 2.5668E-06 | 82.11 |
| -231.87174456 | 2.5656E-06 | 82.15 |
| -231.87174444 | 2.5638E-06 | 82.19 |
| -231.87174454 | 2.5623E-06 | 82.22 |
| -231.87174464 | 2.5610E-06 | 82.26 |
| -231.87174475 | 2.5592E-06 | 82.30 |
| -231.87174462 | 2.5571E-06 | 82.34 |
| -231.87174474 | 2.5555E-06 | 82.37 |
| -231.87174484 | 2.5543E-06 | 82.41 |
| -231.87174485 | 2.5527E-06 | 82.45 |
| -231.87174491 | 2.5510E-06 | 82.48 |
| -231.87174490 | 2.5493E-06 | 82.52 |
| -231.87174499 | 2.5476E-06 | 82.56 |
| -231.87174488 | 2.5457E-06 | 82.59 |
| -231.87174505 | 2.5440E-06 | 82.63 |
| -231.87174502 | 2.5422E-06 | 82.67 |
| -231.87174498 | 2.4522E-06 | 82.71 |
| -231.87174493 | 2.4506E-06 | 82.74 |
| -231.87174496 | 2.4489E-06 | 82.78 |
| -231.87174496 | 2.4473E-06 | 82.82 |
| -231.87174492 | 2.4455E-06 | 82.86 |
| -231.87174488 | 2.4436E-06 | 82.89 |
| -231.87174489 | 2.4424E-06 | 82.93 |
| -231.87174486 | 2.4406E-06 | 82.97 |
| -231.87174487 | 2.4388E-06 | 83.00 |
| -231.87174500 | 2.4372E-06 | 83.04 |
| -231.87174503 | 2.4354E-06 | 83.08 |
| -231.87174521 | 2.4336E-06 | 83.11 |
| -231.87174525 | 2.4320E-06 | 83.15 |
| -231.87174513 | 2.4300E-06 | 83.19 |
| -231.87174524 | 2.4285E-06 | 83.23 |
| -231.87174515 | 2.4266E-06 | 83.26 |
| -231.87174521 | 2.4253E-06 | 83.30 |
| -231.87174466 | 2.3414E-06 | 83.34 |
| -231.87174473 | 2.3396E-06 | 83.37 |
| -231.87174472 | 2.3381E-06 | 83.41 |
| -231.87174462 | 2.3360E-06 | 83.45 |
| -231.87174456 | 2.3344E-06 | 83.49 |
| -231.87174448 | 2.3326E-06 | 83.52 |
| -231.87174458 | 2.3307E-06 | 83.56 |
| -231.87174449 | 2.3289E-06 | 83.60 |
| -231.87174436 | 2.3274E-06 | 83.64 |
| -231.87174436 | 2.3259E-06 | 83.67 |
| -231.87174433 | 2.3245E-06 | 83.71 |
| -231.87174423 | 2.3231E-06 | 83.75 |
| -231.87174429 | 2.3215E-06 | 83.78 |
| -231.87174422 | 2.3196E-06 | 83.82 |
| -231.87174419 | 2.3180E-06 | 83.86 |
| -231.87174436 | 2.3167E-06 | 83.90 |
| -231.87174444 | 2.3152E-06 | 83.93 |
| -231.87174423 | 2.2420E-06 | 83.97 |
| -231.87174421 | 2.2403E-06 | 84.01 |
| -231.87174414 | 2.2386E-06 | 84.05 |
| -231.87174418 | 2.2371E-06 | 84.08 |
| -231.87174416 | 2.2354E-06 | 84.12 |
| -231.87174425 | 2.2341E-06 | 84.16 |
| -231.87174432 | 2.2324E-06 | 84.19 |
| -231.87174432 | 2.2310E-06 | 84.23 |
| -231.87174429 | 2.2293E-06 | 84.27 |
| -231.87174424 | 2.2275E-06 | 84.31 |
| -231.87174422 | 2.2259E-06 | 84.34 |
| -231.87174436 | 2.2244E-06 | 84.38 |
| -231.87174454 | 2.2233E-06 | 84.42 |
| -231.87174454 | 2.2221E-06 | 84.46 |
| -231.87174456 | 2.2206E-06 | 84.49 |
| -231.87174384 | 2.1523E-06 | 84.53 |
| -231.87174379 | 2.1505E-06 | 84.57 |
| -231.87174383 | 2.1490E-06 | 84.60 |
| -231.87174382 | 2.1476E-06 | 84.64 |
| -231.87174399 | 2.1461E-06 | 84.68 |
| -231.87174393 | 2.1443E-06 | 84.71 |
| -231.87174389 | 2.1425E-06 | 84.75 |
| -231.87174386 | 2.1409E-06 | 84.79 |
| -231.87174399 | 2.1393E-06 | 84.83 |
| -231.87174411 | 2.1381E-06 | 84.86 |
| -231.87174412 | 2.1364E-06 | 84.90 |
| -231.87174410 | 2.1350E-06 | 84.94 |
| -231.87174401 | 2.1333E-06 | 84.98 |
| -231.87174407 | 2.1318E-06 | 85.01 |
| -231.87174401 | 2.1301E-06 | 85.05 |
| -231.87174310 | 2.0660E-06 | 85.09 |
| -231.87174308 | 2.0645E-06 | 85.13 |
| -231.87174301 | 2.0631E-06 | 85.16 |
| -231.87174297 | 2.0613E-06 | 85.20 |
| -231.87174292 | 2.0597E-06 | 85.24 |
| -231.87174287 | 2.0578E-06 | 85.27 |
| -231.87174287 | 2.0562E-06 | 85.31 |
| -231.87174279 | 2.0546E-06 | 85.35 |
| -231.87174273 | 2.0530E-06 | 85.39 |
| -231.87174276 | 2.0516E-06 | 85.42 |
| -231.87174280 | 2.0500E-06 | 85.46 |
| -231.87174282 | 2.0486E-06 | 85.50 |
| -231.87174298 | 2.0478E-06 | 85.53 |
| -231.87174303 | 2.0463E-06 | 85.57 |
| -231.87174304 | 2.0452E-06 | 85.61 |
| -231.87174223 | 1.9878E-06 | 85.65 |
| -231.87174225 | 1.9864E-06 | 85.68 |
| -231.87174227 | 1.9854E-06 | 85.72 |
| -231.87174233 | 1.9837E-06 | 85.76 |
| -231.87174236 | 1.9821E-06 | 85.80 |
| -231.87174236 | 1.9806E-06 | 85.83 |
| -231.87174240 | 1.9791E-06 | 85.87 |
| -231.87174258 | 1.9780E-06 | 85.91 |
| -231.87174251 | 1.9763E-06 | 85.94 |
| -231.87174263 | 1.9753E-06 | 85.98 |
| -231.87174259 | 1.9734E-06 | 86.02 |
| -231.87174257 | 1.9717E-06 | 86.06 |
| -231.87174267 | 1.9704E-06 | 86.09 |
| -231.87174268 | 1.9690E-06 | 86.13 |
| -231.87174260 | 1.9174E-06 | 86.17 |
| -231.87174252 | 1.9157E-06 | 86.20 |
| -231.87174250 | 1.9142E-06 | 86.24 |
| -231.87174245 | 1.9127E-06 | 86.28 |
| -231.87174247 | 1.9112E-06 | 86.32 |
| -231.87174240 | 1.9095E-06 | 86.35 |
| -231.87174244 | 1.9081E-06 | 86.39 |
| -231.87174246 | 1.9066E-06 | 86.43 |
| -231.87174244 | 1.9051E-06 | 86.47 |
| -231.87174239 | 1.9035E-06 | 86.50 |
| -231.87174245 | 1.9020E-06 | 86.54 |
| -231.87174246 | 1.9006E-06 | 86.58 |
| -231.87174237 | 1.8989E-06 | 86.61 |
| -231.87174257 | 1.8471E-06 | 86.65 |
| -231.87174264 | 1.8458E-06 | 86.69 |
| -231.87174272 | 1.8447E-06 | 86.73 |
| -231.87174265 | 1.8431E-06 | 86.76 |
| -231.87174256 | 1.8413E-06 | 86.80 |
| -231.87174260 | 1.8400E-06 | 86.84 |
| -231.87174252 | 1.8383E-06 | 86.88 |
| -231.87174256 | 1.8371E-06 | 86.91 |
| -231.87174241 | 1.8355E-06 | 86.95 |
| -231.87174244 | 1.8341E-06 | 86.99 |
| -231.87174240 | 1.8326E-06 | 87.02 |
| -231.87174255 | 1.8314E-06 | 87.06 |
| -231.87174241 | 1.8295E-06 | 87.10 |
| -231.87174285 | 1.7800E-06 | 87.14 |
| -231.87174295 | 1.7785E-06 | 87.17 |
| -231.87174304 | 1.7772E-06 | 87.21 |
| -231.87174309 | 1.7759E-06 | 87.25 |
| -231.87174310 | 1.7749E-06 | 87.29 |
| -231.87174306 | 1.7733E-06 | 87.32 |
| -231.87174317 | 1.7720E-06 | 87.36 |
| -231.87174320 | 1.7707E-06 | 87.40 |
| -231.87174319 | 1.7693E-06 | 87.44 |
| -231.87174316 | 1.7679E-06 | 87.47 |
| -231.87174319 | 1.7666E-06 | 87.51 |
| -231.87174319 | 1.7651E-06 | 87.55 |
| -231.87174318 | 1.7636E-06 | 87.58 |
| -231.87174314 | 1.7155E-06 | 87.62 |
| -231.87174316 | 1.7140E-06 | 87.66 |
| -231.87174315 | 1.7125E-06 | 87.70 |
| -231.87174303 | 1.7108E-06 | 87.73 |
| -231.87174307 | 1.7094E-06 | 87.77 |
| -231.87174301 | 1.7078E-06 | 87.81 |
| -231.87174300 | 1.7063E-06 | 87.85 |
| -231.87174307 | 1.7049E-06 | 87.88 |
| -231.87174314 | 1.7036E-06 | 87.92 |
| -231.87174312 | 1.7022E-06 | 87.96 |
| -231.87174320 | 1.7007E-06 | 87.99 |
| -231.87174348 | 1.6492E-06 | 88.03 |
| -231.87174335 | 1.6478E-06 | 88.07 |
| -231.87174324 | 1.6463E-06 | 88.11 |
| -231.87174318 | 1.6448E-06 | 88.14 |
| -231.87174306 | 1.6432E-06 | 88.18 |
| -231.87174311 | 1.6418E-06 | 88.22 |
| -231.87174313 | 1.6404E-06 | 88.26 |
| -231.87174323 | 1.6392E-06 | 88.29 |
| -231.87174320 | 1.6377E-06 | 88.33 |
| -231.87174318 | 1.6361E-06 | 88.37 |
| -231.87174318 | 1.6347E-06 | 88.41 |
| -231.87174318 | 1.6332E-06 | 88.44 |
| -231.87174266 | 1.5840E-06 | 88.48 |
| -231.87174258 | 1.5825E-06 | 88.52 |
| -231.87174244 | 1.5814E-06 | 88.56 |
| -231.87174249 | 1.5805E-06 | 88.59 |
| -231.87174252 | 1.5791E-06 | 88.63 |
| -231.87174253 | 1.5778E-06 | 88.67 |
| -231.87174248 | 1.5765E-06 | 88.70 |
| -231.87174247 | 1.5754E-06 | 88.74 |
| -231.87174241 | 1.5739E-06 | 88.78 |
| -231.87174236 | 1.5723E-06 | 88.82 |
| -231.87174229 | 1.5708E-06 | 88.85 |
| -231.87174185 | 1.5257E-06 | 88.89 |
| -231.87174186 | 1.5245E-06 | 88.93 |
| -231.87174180 | 1.5231E-06 | 88.97 |
| -231.87174186 | 1.5219E-06 | 89.00 |
| -231.87174179 | 1.5204E-06 | 89.04 |
| -231.87174176 | 1.5192E-06 | 89.08 |
| -231.87174183 | 1.5182E-06 | 89.12 |
| -231.87174185 | 1.5170E-06 | 89.15 |
| -231.87174191 | 1.5159E-06 | 89.19 |
| -231.87174190 | 1.5145E-06 | 89.23 |
| -231.87174193 | 1.5132E-06 | 89.26 |
| -231.87174202 | 1.4722E-06 | 89.30 |
| -231.87174197 | 1.4709E-06 | 89.34 |
| -231.87174189 | 1.4694E-06 | 89.38 |
| -231.87174185 | 1.4681E-06 | 89.41 |
| -231.87174176 | 1.4666E-06 | 89.45 |
| -231.87174173 | 1.4655E-06 | 89.49 |
| -231.87174173 | 1.4641E-06 | 89.53 |
| -231.87174174 | 1.4627E-06 | 89.56 |
| -231.87174167 | 1.4613E-06 | 89.60 |
| -231.87174166 | 1.4599E-06 | 89.64 |
| -231.87174167 | 1.4257E-06 | 89.67 |
| -231.87174178 | 1.4250E-06 | 89.71 |
| -231.87174188 | 1.4239E-06 | 89.75 |
| -231.87174186 | 1.4226E-06 | 89.79 |
| -231.87174183 | 1.4214E-06 | 89.82 |
| -231.87174180 | 1.4201E-06 | 89.86 |
| -231.87174180 | 1.4189E-06 | 89.90 |
| -231.87174185 | 1.4176E-06 | 89.94 |
| -231.87174194 | 1.4168E-06 | 89.97 |
| -231.87174183 | 1.4153E-06 | 90.01 |
| -231.87174188 | 1.3801E-06 | 90.05 |
| -231.87174193 | 1.3790E-06 | 90.08 |
| -231.87174193 | 1.3777E-06 | 90.12 |
| -231.87174197 | 1.3765E-06 | 90.16 |
| -231.87174193 | 1.3752E-06 | 90.20 |
| -231.87174198 | 1.3740E-06 | 90.23 |
| -231.87174191 | 1.3727E-06 | 90.27 |
| -231.87174190 | 1.3714E-06 | 90.31 |
| -231.87174191 | 1.3701E-06 | 90.34 |
| -231.87174203 | 1.3694E-06 | 90.38 |
| -231.87174197 | 1.3293E-06 | 90.42 |
| -231.87174196 | 1.3281E-06 | 90.46 |
| -231.87174192 | 1.3268E-06 | 90.49 |
| -231.87174196 | 1.3255E-06 | 90.53 |
| -231.87174196 | 1.3241E-06 | 90.57 |
| -231.87174201 | 1.3231E-06 | 90.60 |
| -231.87174196 | 1.3218E-06 | 90.64 |
| -231.87174190 | 1.3204E-06 | 90.68 |
| -231.87174185 | 1.3190E-06 | 90.72 |
| -231.87174166 | 1.2737E-06 | 90.75 |
| -231.87174165 | 1.2723E-06 | 90.79 |
| -231.87174159 | 1.2710E-06 | 90.83 |
| -231.87174149 | 1.2696E-06 | 90.87 |
| -231.87174150 | 1.2683E-06 | 90.90 |
| -231.87174145 | 1.2671E-06 | 90.94 |
| -231.87174144 | 1.2660E-06 | 90.98 |
| -231.87174145 | 1.2648E-06 | 91.01 |
| -231.87174153 | 1.2638E-06 | 91.05 |
| -231.87174161 | 1.2217E-06 | 91.09 |
| -231.87174154 | 1.2203E-06 | 91.13 |
| -231.87174153 | 1.2192E-06 | 91.16 |
| -231.87174154 | 1.2179E-06 | 91.20 |
| -231.87174146 | 1.2166E-06 | 91.24 |
| -231.87174139 | 1.2154E-06 | 91.27 |
| -231.87174141 | 1.2141E-06 | 91.31 |
| -231.87174138 | 1.2128E-06 | 91.35 |
| -231.87174095 | 1.1668E-06 | 91.39 |
| -231.87174090 | 1.1658E-06 | 91.42 |
| -231.87174091 | 1.1650E-06 | 91.46 |
| -231.87174093 | 1.1638E-06 | 91.50 |
| -231.87174101 | 1.1628E-06 | 91.54 |
| -231.87174103 | 1.1617E-06 | 91.57 |
| -231.87174099 | 1.1603E-06 | 91.61 |
| -231.87174099 | 1.1592E-06 | 91.65 |
| -231.87174102 | 1.1580E-06 | 91.68 |
| -231.87174071 | 1.0967E-06 | 91.72 |
| -231.87174071 | 1.0955E-06 | 91.76 |
| -231.87174074 | 1.0945E-06 | 91.80 |
| -231.87174084 | 1.0933E-06 | 91.83 |
| -231.87174080 | 1.0921E-06 | 91.87 |
| -231.87174083 | 1.0911E-06 | 91.91 |
| -231.87174085 | 1.0899E-06 | 91.94 |
| -231.87174088 | 1.0889E-06 | 91.98 |
| -231.87174095 | 1.0399E-06 | 92.02 |
| -231.87174090 | 1.0388E-06 | 92.06 |
| -231.87174093 | 1.0383E-06 | 92.09 |
| -231.87174099 | 1.0373E-06 | 92.13 |
| -231.87174095 | 1.0362E-06 | 92.17 |
| -231.87174091 | 1.0354E-06 | 92.20 |
| -231.87174090 | 1.0342E-06 | 92.24 |
| -231.87174091 | 1.0331E-06 | 92.28 |
| -231.87174072 | 9.8514E-07 | 92.32 |
| -231.87174067 | 9.8396E-07 | 92.35 |
| -231.87174071 | 9.8300E-07 | 92.39 |
| -231.87174070 | 9.8198E-07 | 92.43 |
| -231.87174069 | 9.8091E-07 | 92.47 |
| -231.87174066 | 9.7987E-07 | 92.50 |
| -231.87174068 | 9.7891E-07 | 92.54 |
| -231.87174053 | 9.3268E-07 | 92.58 |
| -231.87174049 | 9.3156E-07 | 92.61 |
| -231.87174052 | 9.3063E-07 | 92.65 |
| -231.87174044 | 9.2949E-07 | 92.69 |
| -231.87174040 | 9.2834E-07 | 92.73 |
| -231.87174040 | 9.2745E-07 | 92.76 |
| -231.87174044 | 9.2658E-07 | 92.80 |
| -231.87174047 | 9.2696E-07 | 92.84 |
| -231.87174066 | 8.8458E-07 | 92.88 |
| -231.87174067 | 8.8352E-07 | 92.91 |
| -231.87174064 | 8.8248E-07 | 92.95 |
| -231.87174058 | 8.8135E-07 | 92.99 |
| -231.87174065 | 8.8068E-07 | 93.02 |
| -231.87174065 | 8.7984E-07 | 93.06 |
| -231.87174060 | 8.7887E-07 | 93.10 |
| -231.87174068 | 8.4132E-07 | 93.14 |
| -231.87174072 | 8.4039E-07 | 93.17 |
| -231.87174075 | 8.3947E-07 | 93.21 |
| -231.87174071 | 8.3858E-07 | 93.25 |
| -231.87174059 | 8.3747E-07 | 93.28 |
| -231.87174061 | 8.3649E-07 | 93.32 |
| -231.87174071 | 8.3589E-07 | 93.36 |
| -231.87174051 | 7.9586E-07 | 93.40 |
| -231.87174050 | 7.9501E-07 | 93.43 |
| -231.87174048 | 7.9410E-07 | 93.47 |
| -231.87174047 | 7.9332E-07 | 93.51 |
| -231.87174047 | 7.9262E-07 | 93.55 |
| -231.87174049 | 7.9180E-07 | 93.58 |
| -231.87174048 | 7.9085E-07 | 93.62 |
| -231.87174027 | 7.5632E-07 | 93.66 |
| -231.87174025 | 7.5528E-07 | 93.69 |
| -231.87174029 | 7.5439E-07 | 93.73 |
| -231.87174026 | 7.5345E-07 | 93.77 |
| -231.87174024 | 7.5249E-07 | 93.81 |
| -231.87174021 | 7.5151E-07 | 93.84 |
| -231.87174014 | 7.1554E-07 | 93.88 |
| -231.87174020 | 7.1481E-07 | 93.92 |
| -231.87174022 | 7.1396E-07 | 93.96 |
| -231.87174022 | 7.1315E-07 | 93.99 |
| -231.87174023 | 7.1234E-07 | 94.03 |
| -231.87174026 | 7.1154E-07 | 94.07 |
| -231.87174024 | 7.1070E-07 | 94.11 |
| -231.87174042 | 6.7800E-07 | 94.14 |
| -231.87174042 | 6.7731E-07 | 94.18 |
| -231.87174048 | 6.7672E-07 | 94.22 |
| -231.87174049 | 6.7583E-07 | 94.26 |
| -231.87174050 | 6.7500E-07 | 94.29 |
| -231.87174049 | 6.7407E-07 | 94.33 |
| -231.87174058 | 6.4440E-07 | 94.37 |
| -231.87174056 | 6.4360E-07 | 94.40 |
| -231.87174061 | 6.4307E-07 | 94.44 |
| -231.87174061 | 6.4217E-07 | 94.48 |
| -231.87174061 | 6.4137E-07 | 94.52 |
| -231.87174061 | 6.4069E-07 | 94.55 |
| -231.87174072 | 6.1393E-07 | 94.59 |
| -231.87174069 | 6.1308E-07 | 94.63 |
| -231.87174069 | 6.1229E-07 | 94.67 |
| -231.87174076 | 6.1167E-07 | 94.70 |
| -231.87174079 | 6.1088E-07 | 94.74 |
| -231.87174081 | 6.1018E-07 | 94.78 |
| -231.87174061 | 5.7855E-07 | 94.81 |
| -231.87174060 | 5.7773E-07 | 94.85 |
| -231.87174060 | 5.7688E-07 | 94.89 |
| -231.87174057 | 5.7608E-07 | 94.93 |
| -231.87174058 | 5.7535E-07 | 94.96 |
| -231.87174077 | 5.4981E-07 | 95.00 |
| -231.87174071 | 5.4905E-07 | 95.04 |
| -231.87174069 | 5.4825E-07 | 95.08 |
| -231.87174067 | 5.4740E-07 | 95.11 |
| -231.87174067 | 5.4675E-07 | 95.15 |
| -231.87174067 | 5.4609E-07 | 95.19 |
| -231.87174070 | 5.2233E-07 | 95.23 |
| -231.87174069 | 5.2159E-07 | 95.26 |
| -231.87174071 | 5.2094E-07 | 95.30 |
| -231.87174072 | 5.2033E-07 | 95.34 |
| -231.87174072 | 5.1960E-07 | 95.37 |
| -231.87174074 | 4.9610E-07 | 95.41 |
| -231.87174073 | 4.9545E-07 | 95.45 |
| -231.87174071 | 4.9462E-07 | 95.49 |
| -231.87174071 | 4.9401E-07 | 95.52 |
| -231.87174069 | 4.9325E-07 | 95.56 |
| -231.87174061 | 4.7402E-07 | 95.60 |
| -231.87174061 | 4.7329E-07 | 95.64 |
| -231.87174061 | 4.7269E-07 | 95.67 |
| -231.87174059 | 4.7195E-07 | 95.71 |
| -231.87174061 | 4.7132E-07 | 95.75 |
| -231.87174058 | 4.5166E-07 | 95.79 |
| -231.87174056 | 4.5092E-07 | 95.82 |
| -231.87174053 | 4.5017E-07 | 95.86 |
| -231.87174057 | 4.4953E-07 | 95.90 |
| -231.87174058 | 4.4883E-07 | 95.94 |
| -231.87174047 | 4.2972E-07 | 95.97 |
| -231.87174047 | 4.2912E-07 | 96.01 |
| -231.87174048 | 4.2859E-07 | 96.05 |
| -231.87174048 | 4.2811E-07 | 96.08 |
| -231.87174048 | 4.2751E-07 | 96.12 |
| -231.87174041 | 4.1106E-07 | 96.16 |
| -231.87174041 | 4.1059E-07 | 96.20 |
| -231.87174044 | 4.0998E-07 | 96.23 |
| -231.87174045 | 4.0946E-07 | 96.27 |
| -231.87174047 | 4.0883E-07 | 96.31 |
| -231.87174056 | 3.9452E-07 | 96.35 |
| -231.87174054 | 3.9387E-07 | 96.38 |
| -231.87174059 | 3.9338E-07 | 96.42 |
| -231.87174059 | 3.9272E-07 | 96.46 |
| -231.87174045 | 3.7837E-07 | 96.50 |
| -231.87174046 | 3.7779E-07 | 96.53 |
| -231.87174047 | 3.7712E-07 | 96.57 |
| -231.87174048 | 3.7662E-07 | 96.61 |
| -231.87174048 | 3.7603E-07 | 96.65 |
| -231.87174054 | 3.6272E-07 | 96.68 |
| -231.87174056 | 3.6242E-07 | 96.72 |
| -231.87174056 | 3.6182E-07 | 96.76 |
| -231.87174055 | 3.6114E-07 | 96.79 |
| -231.87174046 | 3.4668E-07 | 96.83 |
| -231.87174044 | 3.4614E-07 | 96.87 |
| -231.87174041 | 3.4546E-07 | 96.91 |
| -231.87174043 | 3.4509E-07 | 96.94 |
| -231.87174038 | 3.3281E-07 | 96.98 |
| -231.87174039 | 3.3219E-07 | 97.02 |
| -231.87174037 | 3.3155E-07 | 97.06 |
| -231.87174038 | 3.3122E-07 | 97.09 |
| -231.87174025 | 3.1948E-07 | 97.13 |
| -231.87174022 | 3.1879E-07 | 97.17 |
| -231.87174022 | 3.1818E-07 | 97.21 |
| -231.87174023 | 3.1759E-07 | 97.24 |
| -231.87174039 | 3.0834E-07 | 97.28 |
| -231.87174039 | 3.0776E-07 | 97.32 |
| -231.87174040 | 3.0719E-07 | 97.35 |
| -231.87174044 | 3.0699E-07 | 97.39 |
| -231.87174043 | 2.9858E-07 | 97.43 |
| -231.87174046 | 2.9915E-07 | 97.47 |
| -231.87174046 | 2.9868E-07 | 97.50 |
| -231.87174047 | 2.9818E-07 | 97.54 |
| -231.87174056 | 2.9082E-07 | 97.58 |
| -231.87174056 | 2.9030E-07 | 97.62 |
| -231.87174054 | 2.8972E-07 | 97.65 |
| -231.87174052 | 2.8921E-07 | 97.69 |
| -231.87174053 | 2.8205E-07 | 97.73 |
| -231.87174055 | 2.8175E-07 | 97.77 |
| -231.87174057 | 2.8129E-07 | 97.80 |
| -231.87174058 | 2.8084E-07 | 97.84 |
| -231.87174057 | 2.7452E-07 | 97.88 |
| -231.87174060 | 2.7406E-07 | 97.91 |
| -231.87174059 | 2.7347E-07 | 97.95 |
| -231.87174065 | 2.6835E-07 | 97.99 |
| -231.87174066 | 2.6781E-07 | 98.03 |
| -231.87174065 | 2.6713E-07 | 98.06 |
| -231.87174067 | 2.6658E-07 | 98.10 |
| -231.87174064 | 2.6203E-07 | 98.14 |
| -231.87174061 | 2.6137E-07 | 98.18 |
| -231.87174063 | 2.6093E-07 | 98.21 |
| -231.87174064 | 2.6035E-07 | 98.25 |
| -231.87174066 | 2.5847E-07 | 98.29 |
| -231.87174065 | 2.5791E-07 | 98.32 |
| -231.87174065 | 2.5729E-07 | 98.36 |
| -231.87174069 | 2.5286E-07 | 98.40 |
| -231.87174072 | 2.5239E-07 | 98.44 |
| -231.87174070 | 2.5166E-07 | 98.47 |
| -231.87174071 | 2.5129E-07 | 98.51 |
| -231.87174076 | 2.4811E-07 | 98.55 |
| -231.87174075 | 2.4747E-07 | 98.58 |
| -231.87174076 | 2.4887E-07 | 98.62 |
| -231.87174074 | 2.4819E-07 | 98.66 |
| -231.87174077 | 2.4580E-07 | 98.70 |
| -231.87174077 | 2.4526E-07 | 98.73 |
| -231.87174077 | 2.4477E-07 | 98.77 |
| -231.87174075 | 2.4279E-07 | 98.81 |
| -231.87174076 | 2.4250E-07 | 98.85 |
| -231.87174075 | 2.4179E-07 | 98.88 |
| -231.87174075 | 2.4118E-07 | 98.92 |
| -231.87174074 | 2.3923E-07 | 98.96 |
| -231.87174075 | 2.3861E-07 | 99.00 |
| -231.87174074 | 2.3788E-07 | 99.03 |
| -231.87174075 | 2.3735E-07 | 99.07 |
| -231.87174074 | 2.3531E-07 | 99.11 |
| -231.87174073 | 2.3468E-07 | 99.14 |
| -231.87174071 | 2.3404E-07 | 99.18 |
| -231.87174072 | 2.3337E-07 | 99.22 |
| -231.87174073 | 2.3240E-07 | 99.26 |
| -231.87174071 | 2.3168E-07 | 99.29 |
| -231.87174071 | 2.3268E-07 | 99.33 |
| -231.87174070 | 2.3193E-07 | 99.37 |
| -231.87174074 | 2.2304E-07 | 99.40 |
| -231.87174072 | 2.2229E-07 | 99.44 |
| -231.87174072 | 2.2151E-07 | 99.48 |
| -231.87174069 | 2.2070E-07 | 99.52 |
| -231.87174068 | 2.1996E-07 | 99.55 |
| -231.87174070 | 2.1922E-07 | 99.59 |
| -231.87174067 | 1.8133E-07 | 99.63 |
| -231.87174066 | 1.8067E-07 | 99.67 |
| -231.87174067 | 1.8021E-07 | 99.71 |
| -231.87174065 | 1.7948E-07 | 99.75 |
| -231.87174063 | 1.7867E-07 | 99.79 |
| -231.87174062 | 1.7795E-07 | 99.83 |
| -231.87174060 | 1.7720E-07 | 99.87 |
| -231.87174059 | 1.7640E-07 | 99.91 |
| -231.87174058 | 1.7566E-07 | 99.95 |
| -231.87174060 | 1.7507E-07 | 99.99 |
| -231.87174055 | 2.1037E-19 | 100.00 |
|---------------+------------+--------|
Time: 2812.08030200005 s
E(CCSD(T)) = -231.871740549698 Ha
E(T) = -0.055915625992 Ha
Correlation = -1.077759385008 Ha
Wall time: 3:22:37
#+begin_src gnuplot :var data=benzene_qz :results file :file benzene_qz.png
reset
set grid
set style fill transparent solid 0.50 border
set yrange [-231.8725:-231.871]
set format y "%10.4f"
set ylabel "(T) (a.u)"
set xlabel "Wall clock time (s)"
#plot data using :1:2 w errorlines notitle, -231.871740549698 notitle
plot data u :($1+$2):($1-$2) w filledcurves ls 1 notitle, \
data u :($1) w l ls 1 title "", -231.871740549698 notitle ls 2
#+end_src
#+RESULTS:
[[file:benzene_qz.png]]
Added org-mode file
2023-05-18 19:42:46 +02:00
** Streptocyanine QZ
*** Geometry
#+begin_example
8
Streptocyanine-C1
C 0.000000 0.000000 0.425929
N 0.000000 1.161139 -0.177701
N 0.000000 -1.161139 -0.177701
H 0.000000 0.000000 1.505176
H 0.000000 1.254035 -1.182034
H 0.000000 -1.254035 -1.182034
H 0.000000 2.007765 0.367245
H 0.000000 -2.007765 0.367245
#+end_example
315 MOs
HF: -149.5404341190290
*** Stochastic algorithm
Time: 127.198801040649 s
Successful convergence after 10 iterations
E(CCSD) = -150.162036576177 Ha
Correlation = -0.621602548836 Ha
Conv = 6.91E-07
#+NAME:strepto_qz
|---------------+------------+-------|
| E(CCSD(T)) | Error | % |
|---------------+------------+-------|
| -150.18755289 | 0.3236E-03 | 1.33 |
| -150.18749603 | 0.2240E-03 | 2.69 |
| -150.18753707 | 0.1571E-03 | 4.05 |
| -150.18764846 | 0.1373E-03 | 5.41 |
| -150.18760591 | 0.1214E-03 | 6.77 |
| -150.18754960 | 0.9845E-04 | 8.13 |
| -150.18754334 | 0.9176E-04 | 9.49 |
| -150.18755251 | 0.7994E-04 | 10.84 |
| -150.18754178 | 0.7515E-04 | 12.20 |
| -150.18754220 | 0.7023E-04 | 13.56 |
| -150.18754476 | 0.6258E-04 | 14.92 |
| -150.18755984 | 0.5938E-04 | 16.27 |
| -150.18757249 | 0.5661E-04 | 17.63 |
| -150.18756762 | 0.4951E-04 | 18.99 |
| -150.18756197 | 0.4759E-04 | 20.35 |
| -150.18757288 | 0.4598E-04 | 21.70 |
| -150.18758115 | 0.4099E-04 | 23.06 |
| -150.18758419 | 0.3965E-04 | 24.41 |
| -150.18757470 | 0.3824E-04 | 25.77 |
| -150.18757089 | 0.3491E-04 | 27.12 |
| -150.18757876 | 0.3382E-04 | 28.48 |
| -150.18760689 | 0.3078E-04 | 29.84 |
| -150.18759859 | 0.2991E-04 | 31.19 |
| -150.18760844 | 0.2776E-04 | 32.55 |
| -150.18761368 | 0.2702E-04 | 33.90 |
| -150.18762310 | 0.2486E-04 | 35.26 |
| -150.18762591 | 0.2429E-04 | 36.62 |
| -150.18762535 | 0.2228E-04 | 37.97 |
| -150.18762385 | 0.2176E-04 | 39.33 |
| -150.18763225 | 0.2007E-04 | 40.68 |
| -150.18763223 | 0.1958E-04 | 42.04 |
| -150.18763397 | 0.1798E-04 | 43.39 |
| -150.18763340 | 0.1757E-04 | 44.75 |
| -150.18764070 | 0.1621E-04 | 46.10 |
| -150.18763986 | 0.1498E-04 | 47.46 |
| -150.18763739 | 0.1464E-04 | 48.82 |
| -150.18763883 | 0.1346E-04 | 50.17 |
| -150.18764267 | 0.1255E-04 | 51.53 |
| -150.18764269 | 0.1229E-04 | 52.88 |
| -150.18764424 | 0.1142E-04 | 54.24 |
| -150.18765046 | 0.1058E-04 | 55.60 |
| -150.18765008 | 0.9804E-05 | 56.95 |
| -150.18765061 | 0.9602E-05 | 58.31 |
| -150.18764718 | 0.8941E-05 | 59.66 |
| -150.18765089 | 0.8398E-05 | 61.02 |
| -150.18764789 | 0.7875E-05 | 62.37 |
| -150.18764931 | 0.7430E-05 | 63.72 |
| -150.18764581 | 0.6968E-05 | 65.08 |
| -150.18764195 | 0.6562E-05 | 66.43 |
| -150.18764743 | 0.6188E-05 | 67.79 |
| -150.18764632 | 0.5825E-05 | 69.14 |
| -150.18764715 | 0.5539E-05 | 70.49 |
| -150.18765097 | 0.5292E-05 | 71.84 |
| -150.18765066 | 0.5036E-05 | 73.20 |
| -150.18764911 | 0.4698E-05 | 74.55 |
| -150.18765017 | 0.4478E-05 | 75.90 |
| -150.18764929 | 0.4274E-05 | 77.25 |
| -150.18764876 | 0.4021E-05 | 78.61 |
| -150.18764747 | 0.3796E-05 | 79.96 |
| -150.18764725 | 0.3571E-05 | 81.31 |
| -150.18764619 | 0.3359E-05 | 82.66 |
| -150.18764469 | 0.3151E-05 | 84.01 |
| -150.18764433 | 0.2899E-05 | 85.36 |
| -150.18764369 | 0.2633E-05 | 86.71 |
| -150.18764453 | 0.2399E-05 | 88.06 |
| -150.18764511 | 0.2151E-05 | 89.41 |
| -150.18764428 | 0.1906E-05 | 90.76 |
| -150.18764536 | 0.1634E-05 | 92.12 |
| -150.18764554 | 0.1442E-05 | 93.47 |
| -150.18764540 | 0.1139E-05 | 94.82 |
| -150.18764707 | 0.7326E-06 | 96.18 |
| -150.18764777 | 0.2304E-06 | 97.55 |
| -150.18764760 | NaN | 98.92 |
|---------------+------------+-------|
Time: 74.8391861915588 s
E(CCSD(T)) = -150.187647603273 Ha
E(T) = -0.025611027096 Ha
Correlation = -0.647213575932 Ha
#+begin_src gnuplot :var data=strepto_qz :results file :file strepto qz.png
reset
set grid
set format y "%10.4f"
set ylabel "(T) (a.u)"
set xlabel "Wall clock time (s)"
plot data using :1:2 w errorlines notitle, -150.187647603273 notitle
#+end_src
#+RESULTS:
[[file:strepto qz.png]]
** Caffeine def2-svp
*** Geometry
#+begin_example
H -3.380413 -1.127237 0.573304
N 0.966830 -1.073743 -0.819823
C 0.056729 0.852720 0.392316
N -1.375174 -1.021224 -0.057055
C -1.261502 0.259071 0.523414
C -0.306834 -1.683633 -0.716934
C 1.139424 0.187412 -0.270090
N 0.560263 2.083910 0.825159
O -0.492680 -2.818056 -1.209473
C -2.632807 -1.730396 -0.006095
O -2.230134 0.798862 1.089973
H 2.549699 2.973498 0.622959
C 2.052743 -1.736089 -1.493128
H -2.480772 -2.726953 0.488263
H -3.008904 -1.902526 -1.049802
H 2.917610 -1.848152 -0.785787
H 2.378786 -1.121192 -2.374366
H 1.718988 -2.748992 -1.843921
C -0.151845 3.097005 1.534835
C 1.893410 2.118125 0.419319
N 2.286125 0.996844 -0.244030
H -0.168703 4.043656 0.930109
H 0.353532 3.297906 2.517775
H -1.207450 2.753759 1.720305
#+end_example
HF: -675.7951033355195
Time: 125.921180963516 s
E(CCSD) = -677.937618736963 Ha
Correlation = -2.142515403784 Ha
Conv = 5.18E-07
#+NAME:caffeine_svp
|---------------+------------+-------|
| E(CCSD(T)) | Error | % |
|---------------+------------+-------|
| -678.02853922 | 0.5258E-02 | 0.10 |
| -678.02976334 | 0.3787E-02 | 0.19 |
| -678.02906265 | 0.3220E-02 | 0.27 |
| -678.02888097 | 0.3069E-02 | 0.35 |
| -678.02579694 | 0.2578E-02 | 0.43 |
| -678.02539115 | 0.2311E-02 | 0.51 |
| -678.02621342 | 0.2161E-02 | 0.59 |
| -678.02699050 | 0.2054E-02 | 0.67 |
| -678.02692044 | 0.1975E-02 | 0.75 |
| -678.02637757 | 0.1821E-02 | 0.83 |
| -678.02647872 | 0.1720E-02 | 0.92 |
| -678.02562780 | 0.1627E-02 | 0.99 |
| -678.02619592 | 0.1579E-02 | 1.07 |
| -678.02595517 | 0.1507E-02 | 1.15 |
| -678.02586955 | 0.1442E-02 | 1.23 |
| -678.02637232 | 0.1414E-02 | 1.31 |
| -678.02664314 | 0.1399E-02 | 1.39 |
| -678.02689058 | 0.1373E-02 | 1.47 |
| -678.02685870 | 0.1328E-02 | 1.55 |
| -678.02652022 | 0.1284E-02 | 1.63 |
| -678.02684814 | 0.1283E-02 | 1.71 |
| -678.02660690 | 0.1240E-02 | 1.79 |
| -678.02661689 | 0.1230E-02 | 1.87 |
| -678.02656400 | 0.1202E-02 | 1.94 |
| -678.02649762 | 0.1174E-02 | 2.03 |
| -678.02622086 | 0.1144E-02 | 2.10 |
| -678.02622715 | 0.1114E-02 | 2.18 |
| -678.02626622 | 0.1091E-02 | 2.26 |
| -678.02636527 | 0.1078E-02 | 2.34 |
| -678.02631587 | 0.1058E-02 | 2.42 |
| -678.02657845 | 0.1043E-02 | 2.50 |
| -678.02687191 | 0.1048E-02 | 2.58 |
| -678.02655328 | 0.1025E-02 | 2.65 |
| -678.02667586 | 0.1013E-02 | 2.74 |
| -678.02662550 | 0.9936E-03 | 2.81 |
| -678.02673402 | 0.9801E-03 | 2.89 |
| -678.02671217 | 0.9668E-03 | 2.97 |
| -678.02654649 | 0.9498E-03 | 3.05 |
| -678.02641864 | 0.9325E-03 | 3.13 |
| -678.02619833 | 0.9146E-03 | 3.20 |
| -678.02635933 | 0.9117E-03 | 3.28 |
| -678.02638714 | 0.9020E-03 | 3.36 |
| -678.02638762 | 0.8877E-03 | 3.44 |
| -678.02620569 | 0.8725E-03 | 3.52 |
| -678.02632108 | 0.8752E-03 | 3.60 |
| -678.02624951 | 0.8666E-03 | 3.68 |
| -678.02634128 | 0.8553E-03 | 3.76 |
| -678.02629702 | 0.8438E-03 | 3.84 |
| -678.02620958 | 0.8327E-03 | 3.91 |
| -678.02601577 | 0.8197E-03 | 3.99 |
| -678.02593911 | 0.8071E-03 | 4.08 |
| -678.02593695 | 0.7985E-03 | 4.15 |
| -678.02585749 | 0.7913E-03 | 4.23 |
| -678.02574423 | 0.7805E-03 | 4.31 |
| -678.02573482 | 0.7751E-03 | 4.38 |
| -678.02592698 | 0.7814E-03 | 4.46 |
| -678.02594764 | 0.7810E-03 | 4.54 |
| -678.02615643 | 0.7901E-03 | 4.62 |
| -678.02619722 | 0.7823E-03 | 4.70 |
| -678.02614753 | 0.7742E-03 | 4.78 |
| -678.02606502 | 0.7656E-03 | 4.87 |
| -678.02599775 | 0.7571E-03 | 4.95 |
| -678.02589536 | 0.7476E-03 | 5.03 |
| -678.02574244 | 0.7389E-03 | 5.10 |
| -678.02565028 | 0.7315E-03 | 5.18 |
| -678.02548026 | 0.7217E-03 | 5.26 |
| -678.02540730 | 0.7144E-03 | 5.34 |
| -678.02550370 | 0.7120E-03 | 5.42 |
| -678.02574955 | 0.7153E-03 | 5.50 |
| -678.02576361 | 0.7083E-03 | 5.58 |
| -678.02572066 | 0.7007E-03 | 5.67 |
| -678.02577570 | 0.6947E-03 | 5.74 |
| -678.02573023 | 0.6878E-03 | 5.82 |
| -678.02577669 | 0.6918E-03 | 5.90 |
| -678.02570115 | 0.6847E-03 | 5.98 |
| -678.02568007 | 0.6793E-03 | 6.05 |
| -678.02573338 | 0.6747E-03 | 6.13 |
| -678.02578413 | 0.6720E-03 | 6.21 |
| -678.02589182 | 0.6733E-03 | 6.29 |
| -678.02592822 | 0.6699E-03 | 6.37 |
| -678.02596892 | 0.6636E-03 | 6.45 |
| -678.02595619 | 0.6592E-03 | 6.52 |
| -678.02599991 | 0.6573E-03 | 6.60 |
| -678.02598874 | 0.6537E-03 | 6.68 |
| -678.02599536 | 0.6488E-03 | 6.77 |
| -678.02594647 | 0.6429E-03 | 6.84 |
| -678.02606288 | 0.6408E-03 | 6.92 |
| -678.02614621 | 0.6408E-03 | 7.00 |
| -678.02627335 | 0.6429E-03 | 7.08 |
| -678.02628164 | 0.6393E-03 | 7.16 |
| -678.02622248 | 0.6342E-03 | 7.24 |
| -678.02618428 | 0.6292E-03 | 7.31 |
| -678.02616016 | 0.6250E-03 | 7.39 |
| -678.02614620 | 0.6205E-03 | 7.47 |
| -678.02610230 | 0.6156E-03 | 7.55 |
| -678.02611827 | 0.6128E-03 | 7.63 |
| -678.02611198 | 0.6100E-03 | 7.71 |
| -678.02618189 | 0.6111E-03 | 7.79 |
| -678.02615684 | 0.6065E-03 | 7.86 |
| -678.02613302 | 0.6021E-03 | 7.95 |
| -678.02608384 | 0.5969E-03 | 8.03 |
| -678.02608570 | 0.5940E-03 | 8.10 |
| -678.02615085 | 0.5903E-03 | 8.19 |
| -678.02609892 | 0.5860E-03 | 8.26 |
| -678.02608281 | 0.5829E-03 | 8.34 |
| -678.02607409 | 0.5786E-03 | 8.42 |
| -678.02608769 | 0.5759E-03 | 8.49 |
| -678.02607334 | 0.5722E-03 | 8.57 |
| -678.02604848 | 0.5678E-03 | 8.65 |
| -678.02598877 | 0.5641E-03 | 8.73 |
| -678.02598935 | 0.5636E-03 | 8.81 |
| -678.02599804 | 0.5605E-03 | 8.89 |
| -678.02599312 | 0.5575E-03 | 8.96 |
| -678.02601211 | 0.5556E-03 | 9.05 |
| -678.02597626 | 0.5519E-03 | 9.12 |
| -678.02597768 | 0.5484E-03 | 9.20 |
| -678.02596787 | 0.5447E-03 | 9.29 |
| -678.02603084 | 0.5425E-03 | 9.36 |
| -678.02603386 | 0.5399E-03 | 9.44 |
| -678.02601157 | 0.5366E-03 | 9.52 |
| -678.02616305 | 0.5370E-03 | 9.61 |
| -678.02625585 | 0.5358E-03 | 9.69 |
| -678.02622004 | 0.5332E-03 | 9.76 |
| -678.02621213 | 0.5308E-03 | 9.84 |
| -678.02620178 | 0.5281E-03 | 9.92 |
| -678.02620548 | 0.5258E-03 | 10.00 |
| -678.02625366 | 0.5265E-03 | 10.08 |
| -678.02617978 | 0.5231E-03 | 10.16 |
| -678.02610918 | 0.5193E-03 | 10.24 |
| -678.02609771 | 0.5162E-03 | 10.32 |
| -678.02613070 | 0.5139E-03 | 10.40 |
| -678.02613181 | 0.5125E-03 | 10.47 |
| -678.02609490 | 0.5096E-03 | 10.56 |
| -678.02601821 | 0.5068E-03 | 10.63 |
| -678.02602616 | 0.5048E-03 | 10.71 |
| -678.02600678 | 0.5018E-03 | 10.79 |
| -678.02603594 | 0.5006E-03 | 10.87 |
| -678.02599939 | 0.4983E-03 | 10.95 |
| -678.02597726 | 0.4961E-03 | 11.02 |
| -678.02603454 | 0.4945E-03 | 11.10 |
| -678.02600197 | 0.4914E-03 | 11.18 |
| -678.02604507 | 0.4917E-03 | 11.26 |
| -678.02609435 | 0.4901E-03 | 11.34 |
| -678.02639591 | 0.3986E-03 | 11.42 |
| -678.02644330 | 0.3984E-03 | 11.50 |
| -678.02645665 | 0.3971E-03 | 11.58 |
| -678.02640918 | 0.3947E-03 | 11.66 |
| -678.02640199 | 0.3930E-03 | 11.74 |
| -678.02640530 | 0.3911E-03 | 11.82 |
| -678.02634926 | 0.3890E-03 | 11.90 |
| -678.02638905 | 0.3876E-03 | 11.98 |
| -678.02640485 | 0.3888E-03 | 12.06 |
| -678.02636158 | 0.3869E-03 | 12.14 |
| -678.02642047 | 0.3860E-03 | 12.22 |
| -678.02637355 | 0.3843E-03 | 12.30 |
| -678.02633055 | 0.3823E-03 | 12.38 |
| -678.02634384 | 0.3811E-03 | 12.45 |
| -678.02638266 | 0.3797E-03 | 12.53 |
| -678.02639829 | 0.3780E-03 | 12.61 |
| -678.02638164 | 0.3762E-03 | 12.69 |
| -678.02638919 | 0.3748E-03 | 12.77 |
| -678.02632591 | 0.3728E-03 | 12.85 |
| -678.02632059 | 0.3714E-03 | 12.92 |
| -678.02630756 | 0.3695E-03 | 13.00 |
| -678.02630362 | 0.3688E-03 | 13.08 |
| -678.02632925 | 0.3676E-03 | 13.16 |
| -678.02633379 | 0.3661E-03 | 13.24 |
| -678.02631000 | 0.3646E-03 | 13.32 |
| -678.02628425 | 0.3629E-03 | 13.40 |
| -678.02625660 | 0.3616E-03 | 13.47 |
| -678.02624652 | 0.3616E-03 | 13.55 |
| -678.02626584 | 0.3607E-03 | 13.63 |
| -678.02629342 | 0.3597E-03 | 13.70 |
| -678.02630045 | 0.3592E-03 | 13.79 |
| -678.02629182 | 0.3579E-03 | 13.86 |
| -678.02634662 | 0.3572E-03 | 13.95 |
| -678.02633349 | 0.3558E-03 | 14.03 |
| -678.02631804 | 0.3543E-03 | 14.10 |
| -678.02629839 | 0.3532E-03 | 14.18 |
| -678.02629671 | 0.3517E-03 | 14.26 |
| -678.02632929 | 0.3508E-03 | 14.34 |
| -678.02633752 | 0.3501E-03 | 14.42 |
| -678.02634198 | 0.3490E-03 | 14.50 |
| -678.02640084 | 0.3499E-03 | 14.58 |
| -678.02637622 | 0.3486E-03 | 14.65 |
| -678.02638770 | 0.3475E-03 | 14.74 |
| -678.02636350 | 0.3466E-03 | 14.82 |
| -678.02637033 | 0.3457E-03 | 14.89 |
| -678.02636321 | 0.3443E-03 | 14.97 |
| -678.02635260 | 0.3432E-03 | 15.05 |
| -678.02632719 | 0.3418E-03 | 15.14 |
| -678.02633278 | 0.3407E-03 | 15.21 |
| -678.02629352 | 0.3390E-03 | 15.29 |
| -678.02632960 | 0.3384E-03 | 15.37 |
| -678.02632434 | 0.3372E-03 | 15.44 |
| -678.02630471 | 0.3357E-03 | 15.52 |
| -678.02638707 | 0.3374E-03 | 15.60 |
| -678.02640638 | 0.3368E-03 | 15.68 |
| -678.02640266 | 0.3357E-03 | 15.76 |
| -678.02637315 | 0.3343E-03 | 15.84 |
| -678.02637397 | 0.3334E-03 | 15.91 |
| -678.02635827 | 0.3319E-03 | 15.99 |
| -678.02636463 | 0.3305E-03 | 16.07 |
| -678.02637029 | 0.3299E-03 | 16.15 |
| -678.02636120 | 0.3290E-03 | 16.23 |
| -678.02633933 | 0.3278E-03 | 16.31 |
| -678.02632651 | 0.3266E-03 | 16.39 |
| -678.02630377 | 0.3255E-03 | 16.47 |
| -678.02627527 | 0.3242E-03 | 16.56 |
| -678.02624228 | 0.3230E-03 | 16.63 |
| -678.02621270 | 0.3218E-03 | 16.72 |
| -678.02619352 | 0.3205E-03 | 16.79 |
| -678.02618604 | 0.3197E-03 | 16.87 |
| -678.02618344 | 0.3189E-03 | 16.95 |
| -678.02615704 | 0.3175E-03 | 17.03 |
| -678.02618214 | 0.3176E-03 | 17.11 |
| -678.02617113 | 0.3166E-03 | 17.19 |
| -678.02615187 | 0.3157E-03 | 17.26 |
| -678.02612469 | 0.3147E-03 | 17.34 |
| -678.02611844 | 0.3138E-03 | 17.43 |
| -678.02613556 | 0.3130E-03 | 17.51 |
| -678.02614441 | 0.3126E-03 | 17.59 |
| -678.02613057 | 0.3116E-03 | 17.67 |
| -678.02613356 | 0.3111E-03 | 17.74 |
| -678.02611422 | 0.3101E-03 | 17.82 |
| -678.02610066 | 0.3094E-03 | 17.90 |
| -678.02615220 | 0.3100E-03 | 17.98 |
| -678.02616512 | 0.3095E-03 | 18.06 |
| -678.02617293 | 0.3090E-03 | 18.13 |
| -678.02618057 | 0.3081E-03 | 18.21 |
| -678.02618078 | 0.3074E-03 | 18.29 |
| -678.02618831 | 0.3066E-03 | 18.37 |
| -678.02620266 | 0.3062E-03 | 18.45 |
| -678.02624681 | 0.3059E-03 | 18.53 |
| -678.02621762 | 0.3049E-03 | 18.61 |
| -678.02620014 | 0.3038E-03 | 18.69 |
| -678.02620583 | 0.3031E-03 | 18.77 |
| -678.02623418 | 0.3031E-03 | 18.85 |
| -678.02621930 | 0.3022E-03 | 18.93 |
| -678.02619654 | 0.3012E-03 | 19.00 |
| -678.02619958 | 0.3005E-03 | 19.08 |
| -678.02620455 | 0.3000E-03 | 19.16 |
| -678.02621012 | 0.2994E-03 | 19.23 |
| -678.02620154 | 0.2985E-03 | 19.30 |
| -678.02619311 | 0.2981E-03 | 19.38 |
| -678.02616212 | 0.2970E-03 | 19.46 |
| -678.02616745 | 0.2962E-03 | 19.54 |
| -678.02613904 | 0.2950E-03 | 19.62 |
| -678.02612359 | 0.2940E-03 | 19.70 |
| -678.02612577 | 0.2935E-03 | 19.78 |
| -678.02612237 | 0.2927E-03 | 19.86 |
| -678.02612675 | 0.2921E-03 | 19.94 |
| -678.02611442 | 0.2912E-03 | 20.02 |
| -678.02610412 | 0.2905E-03 | 20.10 |
| -678.02611582 | 0.2900E-03 | 20.18 |
| -678.02613239 | 0.2892E-03 | 20.26 |
| -678.02614391 | 0.2886E-03 | 20.33 |
| -678.02612516 | 0.2878E-03 | 20.41 |
| -678.02612616 | 0.2870E-03 | 20.49 |
| -678.02613426 | 0.2863E-03 | 20.57 |
| -678.02612940 | 0.2853E-03 | 20.65 |
| -678.02610556 | 0.2470E-03 | 20.73 |
| -678.02610145 | 0.2464E-03 | 20.81 |
| -678.02607889 | 0.2457E-03 | 20.90 |
| -678.02606769 | 0.2449E-03 | 20.98 |
| -678.02608965 | 0.2444E-03 | 21.06 |
| -678.02608284 | 0.2435E-03 | 21.13 |
| -678.02607711 | 0.2427E-03 | 21.21 |
| -678.02609378 | 0.2421E-03 | 21.29 |
| -678.02607486 | 0.2414E-03 | 21.37 |
| -678.02607368 | 0.2408E-03 | 21.45 |
| -678.02608108 | 0.2402E-03 | 21.53 |
| -678.02608720 | 0.2397E-03 | 21.61 |
| -678.02608655 | 0.2396E-03 | 21.69 |
| -678.02610551 | 0.2392E-03 | 21.77 |
| -678.02607995 | 0.2383E-03 | 21.85 |
| -678.02605807 | 0.2375E-03 | 21.93 |
| -678.02602864 | 0.2369E-03 | 22.00 |
| -678.02603523 | 0.2365E-03 | 22.08 |
| -678.02604275 | 0.2359E-03 | 22.17 |
| -678.02606612 | 0.2360E-03 | 22.25 |
| -678.02605947 | 0.2354E-03 | 22.32 |
| -678.02603959 | 0.2347E-03 | 22.40 |
| -678.02603868 | 0.2340E-03 | 22.49 |
| -678.02604945 | 0.2337E-03 | 22.56 |
| -678.02601817 | 0.2330E-03 | 22.64 |
| -678.02603633 | 0.2329E-03 | 22.72 |
| -678.02605026 | 0.2324E-03 | 22.80 |
| -678.02603659 | 0.2317E-03 | 22.88 |
| -678.02603654 | 0.2311E-03 | 22.97 |
| -678.02603072 | 0.2305E-03 | 23.04 |
| -678.02603012 | 0.2301E-03 | 23.12 |
| -678.02604038 | 0.2298E-03 | 23.20 |
| -678.02604082 | 0.2294E-03 | 23.28 |
| -678.02607429 | 0.2293E-03 | 23.36 |
| -678.02606579 | 0.2289E-03 | 23.43 |
| -678.02607164 | 0.2286E-03 | 23.51 |
| -678.02608144 | 0.2282E-03 | 23.60 |
| -678.02607438 | 0.2276E-03 | 23.68 |
| -678.02606522 | 0.2272E-03 | 23.76 |
| -678.02607896 | 0.2267E-03 | 23.84 |
| -678.02608842 | 0.2262E-03 | 23.92 |
| -678.02607339 | 0.2257E-03 | 24.00 |
| -678.02605228 | 0.2252E-03 | 24.08 |
| -678.02606007 | 0.2247E-03 | 24.16 |
| -678.02606018 | 0.2242E-03 | 24.24 |
| -678.02606494 | 0.2238E-03 | 24.31 |
| -678.02609212 | 0.2236E-03 | 24.39 |
| -678.02609217 | 0.2232E-03 | 24.47 |
| -678.02608586 | 0.2227E-03 | 24.54 |
| -678.02608815 | 0.2222E-03 | 24.62 |
| -678.02610090 | 0.2219E-03 | 24.70 |
| -678.02609152 | 0.2214E-03 | 24.78 |
| -678.02610035 | 0.2211E-03 | 24.85 |
| -678.02609807 | 0.2207E-03 | 24.93 |
| -678.02608812 | 0.2203E-03 | 25.00 |
| -678.02607523 | 0.2197E-03 | 25.08 |
| -678.02609734 | 0.2195E-03 | 25.16 |
| -678.02607320 | 0.2188E-03 | 25.24 |
| -678.02606916 | 0.2184E-03 | 25.31 |
| -678.02605308 | 0.2179E-03 | 25.39 |
| -678.02606153 | 0.2176E-03 | 25.47 |
| -678.02605711 | 0.2170E-03 | 25.55 |
| -678.02606474 | 0.2166E-03 | 25.63 |
| -678.02605328 | 0.2161E-03 | 25.71 |
| -678.02604935 | 0.2156E-03 | 25.79 |
| -678.02605021 | 0.2153E-03 | 25.87 |
| -678.02605473 | 0.2147E-03 | 25.95 |
| -678.02606813 | 0.2144E-03 | 26.03 |
| -678.02606241 | 0.2140E-03 | 26.11 |
| -678.02605729 | 0.2136E-03 | 26.19 |
| -678.02606254 | 0.2131E-03 | 26.27 |
| -678.02608133 | 0.2127E-03 | 26.35 |
| -678.02607459 | 0.2123E-03 | 26.43 |
| -678.02604597 | 0.2117E-03 | 26.52 |
| -678.02604872 | 0.2115E-03 | 26.59 |
| -678.02605380 | 0.2111E-03 | 26.67 |
| -678.02604658 | 0.2106E-03 | 26.76 |
| -678.02605234 | 0.2102E-03 | 26.84 |
| -678.02603972 | 0.2099E-03 | 26.91 |
| -678.02602235 | 0.2093E-03 | 26.99 |
| -678.02602424 | 0.2088E-03 | 27.08 |
| -678.02599840 | 0.2082E-03 | 27.17 |
| -678.02599195 | 0.2077E-03 | 27.25 |
| -678.02599747 | 0.2073E-03 | 27.32 |
| -678.02597648 | 0.2067E-03 | 27.40 |
| -678.02597909 | 0.2064E-03 | 27.48 |
| -678.02599035 | 0.2060E-03 | 27.56 |
| -678.02600115 | 0.2055E-03 | 27.64 |
| -678.02600134 | 0.2052E-03 | 27.72 |
| -678.02608356 | 0.1905E-03 | 27.80 |
| -678.02607887 | 0.1901E-03 | 27.88 |
| -678.02608516 | 0.1899E-03 | 27.96 |
| -678.02607817 | 0.1895E-03 | 28.04 |
| -678.02606440 | 0.1891E-03 | 28.12 |
| -678.02607021 | 0.1888E-03 | 28.20 |
| -678.02607421 | 0.1885E-03 | 28.28 |
| -678.02606208 | 0.1881E-03 | 28.36 |
| -678.02607092 | 0.1879E-03 | 28.45 |
| -678.02608183 | 0.1876E-03 | 28.53 |
| -678.02609352 | 0.1874E-03 | 28.61 |
| -678.02609971 | 0.1871E-03 | 28.69 |
| -678.02609476 | 0.1867E-03 | 28.78 |
| -678.02608991 | 0.1863E-03 | 28.85 |
| -678.02608095 | 0.1860E-03 | 28.92 |
| -678.02608413 | 0.1857E-03 | 29.01 |
| -678.02608126 | 0.1853E-03 | 29.09 |
| -678.02608495 | 0.1850E-03 | 29.17 |
| -678.02606722 | 0.1846E-03 | 29.25 |
| -678.02607311 | 0.1843E-03 | 29.33 |
| -678.02608056 | 0.1840E-03 | 29.41 |
| -678.02608175 | 0.1838E-03 | 29.48 |
| -678.02609396 | 0.1838E-03 | 29.57 |
| -678.02609583 | 0.1835E-03 | 29.64 |
| -678.02609841 | 0.1833E-03 | 29.72 |
| -678.02607932 | 0.1828E-03 | 29.80 |
| -678.02608625 | 0.1825E-03 | 29.88 |
| -678.02608028 | 0.1822E-03 | 29.96 |
| -678.02608193 | 0.1819E-03 | 30.05 |
| -678.02607805 | 0.1816E-03 | 30.12 |
| -678.02606295 | 0.1813E-03 | 30.20 |
| -678.02605146 | 0.1808E-03 | 30.28 |
| -678.02605424 | 0.1805E-03 | 30.36 |
| -678.02604814 | 0.1802E-03 | 30.44 |
| -678.02604207 | 0.1798E-03 | 30.52 |
| -678.02604047 | 0.1794E-03 | 30.60 |
| -678.02603503 | 0.1791E-03 | 30.67 |
| -678.02603101 | 0.1787E-03 | 30.75 |
| -678.02602956 | 0.1784E-03 | 30.83 |
| -678.02602480 | 0.1781E-03 | 30.91 |
| -678.02603217 | 0.1780E-03 | 30.99 |
| -678.02603465 | 0.1777E-03 | 31.07 |
| -678.02604053 | 0.1775E-03 | 31.14 |
| -678.02602691 | 0.1771E-03 | 31.22 |
| -678.02604001 | 0.1769E-03 | 31.31 |
| -678.02604046 | 0.1766E-03 | 31.38 |
| -678.02603915 | 0.1764E-03 | 31.47 |
| -678.02603158 | 0.1761E-03 | 31.54 |
| -678.02604616 | 0.1758E-03 | 31.62 |
| -678.02604322 | 0.1755E-03 | 31.69 |
| -678.02603979 | 0.1752E-03 | 31.77 |
| -678.02604155 | 0.1749E-03 | 31.85 |
| -678.02603450 | 0.1746E-03 | 31.93 |
| -678.02602211 | 0.1743E-03 | 32.01 |
| -678.02601848 | 0.1741E-03 | 32.10 |
| -678.02601638 | 0.1737E-03 | 32.18 |
| -678.02600568 | 0.1734E-03 | 32.25 |
| -678.02599472 | 0.1731E-03 | 32.33 |
| -678.02599446 | 0.1729E-03 | 32.41 |
| -678.02598212 | 0.1725E-03 | 32.49 |
| -678.02598715 | 0.1724E-03 | 32.57 |
| -678.02597528 | 0.1720E-03 | 32.65 |
| -678.02596768 | 0.1716E-03 | 32.72 |
| -678.02595901 | 0.1713E-03 | 32.81 |
| -678.02595794 | 0.1711E-03 | 32.88 |
| -678.02595735 | 0.1708E-03 | 32.97 |
| -678.02595048 | 0.1705E-03 | 33.05 |
| -678.02594412 | 0.1701E-03 | 33.13 |
| -678.02593159 | 0.1698E-03 | 33.21 |
| -678.02592163 | 0.1695E-03 | 33.29 |
| -678.02591348 | 0.1693E-03 | 33.37 |
| -678.02592315 | 0.1692E-03 | 33.45 |
| -678.02591972 | 0.1689E-03 | 33.53 |
| -678.02590635 | 0.1684E-03 | 33.61 |
| -678.02588948 | 0.1580E-03 | 33.70 |
| -678.02588981 | 0.1577E-03 | 33.77 |
| -678.02588773 | 0.1574E-03 | 33.85 |
| -678.02588720 | 0.1572E-03 | 33.93 |
| -678.02588919 | 0.1570E-03 | 34.01 |
| -678.02590015 | 0.1568E-03 | 34.09 |
| -678.02589667 | 0.1566E-03 | 34.17 |
| -678.02588918 | 0.1563E-03 | 34.25 |
| -678.02588912 | 0.1560E-03 | 34.33 |
| -678.02589661 | 0.1558E-03 | 34.41 |
| -678.02590532 | 0.1557E-03 | 34.49 |
| -678.02590423 | 0.1554E-03 | 34.57 |
| -678.02591523 | 0.1552E-03 | 34.64 |
| -678.02591345 | 0.1550E-03 | 34.73 |
| -678.02590907 | 0.1547E-03 | 34.81 |
| -678.02590259 | 0.1544E-03 | 34.89 |
| -678.02590705 | 0.1542E-03 | 34.97 |
| -678.02590706 | 0.1540E-03 | 35.05 |
| -678.02591051 | 0.1538E-03 | 35.12 |
| -678.02590760 | 0.1535E-03 | 35.21 |
| -678.02589643 | 0.1533E-03 | 35.28 |
| -678.02590090 | 0.1530E-03 | 35.36 |
| -678.02590181 | 0.1528E-03 | 35.44 |
| -678.02589238 | 0.1524E-03 | 35.52 |
| -678.02588468 | 0.1522E-03 | 35.60 |
| -678.02588218 | 0.1519E-03 | 35.67 |
| -678.02589418 | 0.1519E-03 | 35.75 |
| -678.02589841 | 0.1516E-03 | 35.84 |
| -678.02589181 | 0.1513E-03 | 35.91 |
| -678.02589229 | 0.1511E-03 | 35.99 |
| -678.02588695 | 0.1509E-03 | 36.07 |
| -678.02590053 | 0.1508E-03 | 36.15 |
| -678.02590285 | 0.1505E-03 | 36.23 |
| -678.02589402 | 0.1502E-03 | 36.31 |
| -678.02588087 | 0.1499E-03 | 36.39 |
| -678.02586841 | 0.1495E-03 | 36.47 |
| -678.02586325 | 0.1493E-03 | 36.54 |
| -678.02586666 | 0.1491E-03 | 36.62 |
| -678.02585607 | 0.1489E-03 | 36.71 |
| -678.02585467 | 0.1487E-03 | 36.78 |
| -678.02585497 | 0.1485E-03 | 36.86 |
| -678.02585706 | 0.1482E-03 | 36.94 |
| -678.02584560 | 0.1479E-03 | 37.02 |
| -678.02584790 | 0.1477E-03 | 37.10 |
| -678.02583388 | 0.1475E-03 | 37.17 |
| -678.02584928 | 0.1473E-03 | 37.25 |
| -678.02584804 | 0.1471E-03 | 37.33 |
| -678.02584032 | 0.1469E-03 | 37.40 |
| -678.02583783 | 0.1466E-03 | 37.49 |
| -678.02583879 | 0.1464E-03 | 37.56 |
| -678.02584001 | 0.1462E-03 | 37.64 |
| -678.02584928 | 0.1460E-03 | 37.71 |
| -678.02583259 | 0.1458E-03 | 37.79 |
| -678.02583676 | 0.1456E-03 | 37.87 |
| -678.02584875 | 0.1456E-03 | 37.95 |
| -678.02585724 | 0.1456E-03 | 38.03 |
| -678.02585733 | 0.1454E-03 | 38.11 |
| -678.02584964 | 0.1452E-03 | 38.19 |
| -678.02584882 | 0.1451E-03 | 38.27 |
| -678.02586013 | 0.1450E-03 | 38.35 |
| -678.02587226 | 0.1448E-03 | 38.42 |
| -678.02586454 | 0.1446E-03 | 38.50 |
| -678.02586056 | 0.1445E-03 | 38.58 |
| -678.02586199 | 0.1443E-03 | 38.66 |
| -678.02599140 | 0.1389E-03 | 38.74 |
| -678.02598438 | 0.1387E-03 | 38.82 |
| -678.02598875 | 0.1385E-03 | 38.90 |
| -678.02598619 | 0.1384E-03 | 38.98 |
| -678.02598819 | 0.1382E-03 | 39.06 |
| -678.02598958 | 0.1380E-03 | 39.14 |
| -678.02599488 | 0.1379E-03 | 39.22 |
| -678.02598909 | 0.1377E-03 | 39.30 |
| -678.02598354 | 0.1375E-03 | 39.38 |
| -678.02599123 | 0.1374E-03 | 39.46 |
| -678.02599444 | 0.1372E-03 | 39.54 |
| -678.02598625 | 0.1370E-03 | 39.62 |
| -678.02598471 | 0.1367E-03 | 39.70 |
| -678.02600613 | 0.1368E-03 | 39.78 |
| -678.02600665 | 0.1365E-03 | 39.86 |
| -678.02600361 | 0.1363E-03 | 39.94 |
| -678.02601746 | 0.1361E-03 | 40.02 |
| -678.02601790 | 0.1359E-03 | 40.10 |
| -678.02602671 | 0.1357E-03 | 40.18 |
| -678.02604156 | 0.1357E-03 | 40.26 |
| -678.02605502 | 0.1356E-03 | 40.33 |
| -678.02605056 | 0.1354E-03 | 40.41 |
| -678.02604965 | 0.1351E-03 | 40.49 |
| -678.02604934 | 0.1350E-03 | 40.57 |
| -678.02604617 | 0.1347E-03 | 40.65 |
| -678.02604133 | 0.1345E-03 | 40.73 |
| -678.02604307 | 0.1343E-03 | 40.81 |
| -678.02604828 | 0.1341E-03 | 40.89 |
| -678.02604418 | 0.1339E-03 | 40.97 |
| -678.02603323 | 0.1337E-03 | 41.05 |
| -678.02602898 | 0.1335E-03 | 41.13 |
| -678.02602949 | 0.1334E-03 | 41.20 |
| -678.02603016 | 0.1332E-03 | 41.28 |
| -678.02602357 | 0.1330E-03 | 41.36 |
| -678.02602551 | 0.1328E-03 | 41.44 |
| -678.02602111 | 0.1326E-03 | 41.52 |
| -678.02601433 | 0.1324E-03 | 41.59 |
| -678.02600852 | 0.1323E-03 | 41.67 |
| -678.02600552 | 0.1321E-03 | 41.75 |
| -678.02601446 | 0.1319E-03 | 41.84 |
| -678.02601142 | 0.1317E-03 | 41.92 |
| -678.02601636 | 0.1315E-03 | 42.00 |
| -678.02601731 | 0.1313E-03 | 42.08 |
| -678.02601411 | 0.1311E-03 | 42.16 |
| -678.02601572 | 0.1309E-03 | 42.24 |
| -678.02600744 | 0.1307E-03 | 42.32 |
| -678.02600033 | 0.1305E-03 | 42.39 |
| -678.02599810 | 0.1303E-03 | 42.48 |
| -678.02599407 | 0.1301E-03 | 42.56 |
| -678.02599358 | 0.1298E-03 | 42.64 |
| -678.02599416 | 0.1297E-03 | 42.72 |
| -678.02599208 | 0.1295E-03 | 42.79 |
| -678.02603344 | 0.1248E-03 | 42.86 |
| -678.02603292 | 0.1246E-03 | 42.94 |
| -678.02603003 | 0.1245E-03 | 43.02 |
| -678.02603056 | 0.1243E-03 | 43.10 |
| -678.02601823 | 0.1241E-03 | 43.18 |
| -678.02601604 | 0.1239E-03 | 43.26 |
| -678.02600631 | 0.1236E-03 | 43.34 |
| -678.02600427 | 0.1235E-03 | 43.42 |
| -678.02600104 | 0.1233E-03 | 43.50 |
| -678.02600550 | 0.1232E-03 | 43.58 |
| -678.02600605 | 0.1229E-03 | 43.66 |
| -678.02600075 | 0.1227E-03 | 43.74 |
| -678.02599404 | 0.1225E-03 | 43.82 |
| -678.02599525 | 0.1224E-03 | 43.89 |
| -678.02599414 | 0.1222E-03 | 43.97 |
| -678.02598445 | 0.1221E-03 | 44.05 |
| -678.02598032 | 0.1219E-03 | 44.13 |
| -678.02598256 | 0.1218E-03 | 44.21 |
| -678.02597560 | 0.1215E-03 | 44.29 |
| -678.02597470 | 0.1214E-03 | 44.38 |
| -678.02598395 | 0.1213E-03 | 44.45 |
| -678.02597854 | 0.1211E-03 | 44.54 |
| -678.02597162 | 0.1209E-03 | 44.61 |
| -678.02598139 | 0.1207E-03 | 44.69 |
| -678.02598402 | 0.1206E-03 | 44.77 |
| -678.02598362 | 0.1204E-03 | 44.85 |
| -678.02599266 | 0.1203E-03 | 44.92 |
| -678.02600672 | 0.1202E-03 | 45.01 |
| -678.02601505 | 0.1201E-03 | 45.09 |
| -678.02601176 | 0.1199E-03 | 45.16 |
| -678.02601205 | 0.1198E-03 | 45.25 |
| -678.02601859 | 0.1197E-03 | 45.31 |
| -678.02601913 | 0.1195E-03 | 45.40 |
| -678.02601287 | 0.1194E-03 | 45.48 |
| -678.02601496 | 0.1192E-03 | 45.56 |
| -678.02601540 | 0.1190E-03 | 45.64 |
| -678.02602270 | 0.1189E-03 | 45.72 |
| -678.02602604 | 0.1187E-03 | 45.79 |
| -678.02602490 | 0.1186E-03 | 45.87 |
| -678.02602870 | 0.1185E-03 | 45.94 |
| -678.02601119 | 0.1183E-03 | 46.03 |
| -678.02601741 | 0.1182E-03 | 46.10 |
| -678.02602543 | 0.1181E-03 | 46.18 |
| -678.02602807 | 0.1179E-03 | 46.26 |
| -678.02603589 | 0.1179E-03 | 46.34 |
| -678.02604040 | 0.1178E-03 | 46.42 |
| -678.02603563 | 0.1175E-03 | 46.50 |
| -678.02602512 | 0.1124E-03 | 46.58 |
| -678.02602355 | 0.1122E-03 | 46.66 |
| -678.02603462 | 0.1121E-03 | 46.74 |
| -678.02603469 | 0.1120E-03 | 46.82 |
| -678.02603957 | 0.1119E-03 | 46.90 |
| -678.02603430 | 0.1118E-03 | 46.98 |
| -678.02603522 | 0.1118E-03 | 47.06 |
| -678.02603096 | 0.1117E-03 | 47.14 |
| -678.02603560 | 0.1116E-03 | 47.22 |
| -678.02605447 | 0.1115E-03 | 47.29 |
| -678.02603730 | 0.1113E-03 | 47.37 |
| -678.02602994 | 0.1111E-03 | 47.46 |
| -678.02603521 | 0.1110E-03 | 47.54 |
| -678.02603871 | 0.1109E-03 | 47.61 |
| -678.02603798 | 0.1107E-03 | 47.69 |
| -678.02603231 | 0.1106E-03 | 47.77 |
| -678.02602907 | 0.1105E-03 | 47.85 |
| -678.02603386 | 0.1103E-03 | 47.94 |
| -678.02604570 | 0.1103E-03 | 48.01 |
| -678.02604884 | 0.1102E-03 | 48.09 |
| -678.02604765 | 0.1101E-03 | 48.17 |
| -678.02605171 | 0.1100E-03 | 48.25 |
| -678.02605584 | 0.1098E-03 | 48.33 |
| -678.02606009 | 0.1097E-03 | 48.40 |
| -678.02606089 | 0.1095E-03 | 48.48 |
| -678.02605553 | 0.1094E-03 | 48.56 |
| -678.02606031 | 0.1092E-03 | 48.63 |
| -678.02606332 | 0.1091E-03 | 48.71 |
| -678.02606253 | 0.1090E-03 | 48.80 |
| -678.02604995 | 0.1088E-03 | 48.87 |
| -678.02604696 | 0.1086E-03 | 48.95 |
| -678.02604123 | 0.1085E-03 | 49.03 |
| -678.02604783 | 0.1084E-03 | 49.11 |
| -678.02604398 | 0.1082E-03 | 49.19 |
| -678.02604972 | 0.1081E-03 | 49.26 |
| -678.02605030 | 0.1080E-03 | 49.34 |
| -678.02605443 | 0.1079E-03 | 49.42 |
| -678.02605070 | 0.1078E-03 | 49.50 |
| -678.02604567 | 0.1077E-03 | 49.58 |
| -678.02604612 | 0.1075E-03 | 49.66 |
| -678.02604356 | 0.1074E-03 | 49.74 |
| -678.02604745 | 0.1073E-03 | 49.82 |
| -678.02604707 | 0.1072E-03 | 49.90 |
| -678.02602112 | 0.1034E-03 | 49.98 |
| -678.02601414 | 0.1032E-03 | 50.06 |
| -678.02601121 | 0.1031E-03 | 50.14 |
| -678.02600930 | 0.1030E-03 | 50.21 |
| -678.02601216 | 0.1028E-03 | 50.29 |
| -678.02600504 | 0.1027E-03 | 50.37 |
| -678.02601312 | 0.1026E-03 | 50.45 |
| -678.02601391 | 0.1024E-03 | 50.53 |
| -678.02602187 | 0.1023E-03 | 50.61 |
| -678.02603247 | 0.1023E-03 | 50.69 |
| -678.02603325 | 0.1022E-03 | 50.77 |
| -678.02602994 | 0.1020E-03 | 50.85 |
| -678.02603217 | 0.1019E-03 | 50.93 |
| -678.02602441 | 0.1018E-03 | 51.01 |
| -678.02602835 | 0.1016E-03 | 51.09 |
| -678.02603359 | 0.1017E-03 | 51.17 |
| -678.02603841 | 0.1015E-03 | 51.25 |
| -678.02604111 | 0.1014E-03 | 51.33 |
| -678.02604196 | 0.1013E-03 | 51.41 |
| -678.02604056 | 0.1012E-03 | 51.49 |
| -678.02604459 | 0.1011E-03 | 51.57 |
| -678.02604726 | 0.1010E-03 | 51.64 |
| -678.02605482 | 0.1011E-03 | 51.72 |
| -678.02605492 | 0.1009E-03 | 51.80 |
| -678.02605385 | 0.1008E-03 | 51.88 |
| -678.02605244 | 0.1007E-03 | 51.96 |
| -678.02605607 | 0.1005E-03 | 52.04 |
| -678.02606070 | 0.1005E-03 | 52.12 |
| -678.02606156 | 0.1003E-03 | 52.20 |
| -678.02606117 | 0.1002E-03 | 52.28 |
| -678.02607098 | 0.1001E-03 | 52.36 |
| -678.02607446 | 0.9999E-04 | 52.44 |
| -678.02607853 | 0.9989E-04 | 52.52 |
| -678.02607837 | 0.9978E-04 | 52.60 |
| -678.02608416 | 0.9977E-04 | 52.68 |
| -678.02608811 | 0.9963E-04 | 52.76 |
| -678.02608681 | 0.9948E-04 | 52.84 |
| -678.02608637 | 0.9939E-04 | 52.92 |
| -678.02610909 | 0.9666E-04 | 53.00 |
| -678.02610364 | 0.9654E-04 | 53.08 |
| -678.02609431 | 0.9639E-04 | 53.16 |
| -678.02608645 | 0.9624E-04 | 53.24 |
| -678.02608870 | 0.9611E-04 | 53.32 |
| -678.02609322 | 0.9606E-04 | 53.40 |
| -678.02609073 | 0.9592E-04 | 53.48 |
| -678.02608964 | 0.9583E-04 | 53.56 |
| -678.02608892 | 0.9573E-04 | 53.64 |
| -678.02608565 | 0.9562E-04 | 53.72 |
| -678.02608067 | 0.9551E-04 | 53.80 |
| -678.02608119 | 0.9541E-04 | 53.88 |
| -678.02608262 | 0.9529E-04 | 53.96 |
| -678.02608573 | 0.9520E-04 | 54.04 |
| -678.02607942 | 0.9504E-04 | 54.12 |
| -678.02607861 | 0.9495E-04 | 54.20 |
| -678.02608093 | 0.9481E-04 | 54.28 |
| -678.02608453 | 0.9472E-04 | 54.36 |
| -678.02608451 | 0.9461E-04 | 54.43 |
| -678.02608166 | 0.9451E-04 | 54.51 |
| -678.02607711 | 0.9438E-04 | 54.59 |
| -678.02606876 | 0.9421E-04 | 54.67 |
| -678.02606783 | 0.9414E-04 | 54.75 |
| -678.02606277 | 0.9401E-04 | 54.83 |
| -678.02606100 | 0.9390E-04 | 54.91 |
| -678.02605168 | 0.9377E-04 | 54.99 |
| -678.02605168 | 0.9367E-04 | 55.06 |
| -678.02605275 | 0.9357E-04 | 55.14 |
| -678.02605329 | 0.9346E-04 | 55.23 |
| -678.02605046 | 0.9335E-04 | 55.31 |
| -678.02605001 | 0.9323E-04 | 55.39 |
| -678.02604532 | 0.9312E-04 | 55.46 |
| -678.02604726 | 0.9304E-04 | 55.54 |
| -678.02604903 | 0.9295E-04 | 55.62 |
| -678.02607499 | 0.9057E-04 | 55.70 |
| -678.02607742 | 0.9049E-04 | 55.78 |
| -678.02607711 | 0.9038E-04 | 55.85 |
| -678.02607665 | 0.9023E-04 | 55.93 |
| -678.02608483 | 0.9022E-04 | 56.01 |
| -678.02608306 | 0.9008E-04 | 56.09 |
| -678.02608767 | 0.8996E-04 | 56.18 |
| -678.02609654 | 0.8990E-04 | 56.26 |
| -678.02609887 | 0.8983E-04 | 56.34 |
| -678.02609802 | 0.8969E-04 | 56.42 |
| -678.02610361 | 0.8964E-04 | 56.50 |
| -678.02610513 | 0.8958E-04 | 56.57 |
| -678.02610753 | 0.8948E-04 | 56.65 |
| -678.02611311 | 0.8940E-04 | 56.73 |
| -678.02611604 | 0.8929E-04 | 56.81 |
| -678.02611571 | 0.8919E-04 | 56.88 |
| -678.02611614 | 0.8908E-04 | 56.96 |
| -678.02611780 | 0.8900E-04 | 57.04 |
| -678.02612055 | 0.8888E-04 | 57.12 |
| -678.02612332 | 0.8878E-04 | 57.20 |
| -678.02612648 | 0.8870E-04 | 57.29 |
| -678.02613128 | 0.8863E-04 | 57.37 |
| -678.02613127 | 0.8851E-04 | 57.44 |
| -678.02612823 | 0.8842E-04 | 57.52 |
| -678.02612467 | 0.8833E-04 | 57.60 |
| -678.02612532 | 0.8822E-04 | 57.67 |
| -678.02612712 | 0.8811E-04 | 57.75 |
| -678.02612511 | 0.8798E-04 | 57.83 |
| -678.02612820 | 0.8789E-04 | 57.92 |
| -678.02612883 | 0.8782E-04 | 58.00 |
| -678.02612416 | 0.8770E-04 | 58.08 |
| -678.02612529 | 0.8548E-04 | 58.16 |
| -678.02612959 | 0.8540E-04 | 58.23 |
| -678.02613329 | 0.8533E-04 | 58.32 |
| -678.02613068 | 0.8519E-04 | 58.39 |
| -678.02613173 | 0.8508E-04 | 58.47 |
| -678.02613212 | 0.8497E-04 | 58.54 |
| -678.02612654 | 0.8486E-04 | 58.62 |
| -678.02612698 | 0.8474E-04 | 58.70 |
| -678.02613068 | 0.8465E-04 | 58.78 |
| -678.02613040 | 0.8456E-04 | 58.86 |
| -678.02613090 | 0.8444E-04 | 58.94 |
| -678.02612615 | 0.8431E-04 | 59.01 |
| -678.02612672 | 0.8424E-04 | 59.09 |
| -678.02612319 | 0.8413E-04 | 59.18 |
| -678.02612610 | 0.8404E-04 | 59.25 |
| -678.02612200 | 0.8392E-04 | 59.33 |
| -678.02612096 | 0.8384E-04 | 59.41 |
| -678.02611778 | 0.8375E-04 | 59.49 |
| -678.02611148 | 0.8362E-04 | 59.56 |
| -678.02611128 | 0.8352E-04 | 59.64 |
| -678.02610700 | 0.8339E-04 | 59.73 |
| -678.02610704 | 0.8331E-04 | 59.81 |
| -678.02610469 | 0.8320E-04 | 59.89 |
| -678.02610729 | 0.8311E-04 | 59.97 |
| -678.02611304 | 0.8302E-04 | 60.05 |
| -678.02611085 | 0.8291E-04 | 60.13 |
| -678.02611007 | 0.8281E-04 | 60.20 |
| -678.02610913 | 0.8272E-04 | 60.29 |
| -678.02613259 | 0.8099E-04 | 60.36 |
| -678.02613365 | 0.8091E-04 | 60.44 |
| -678.02612834 | 0.8078E-04 | 60.52 |
| -678.02613015 | 0.8068E-04 | 60.59 |
| -678.02612425 | 0.8056E-04 | 60.67 |
| -678.02612707 | 0.8050E-04 | 60.75 |
| -678.02613435 | 0.8048E-04 | 60.83 |
| -678.02613261 | 0.8035E-04 | 60.91 |
| -678.02613791 | 0.8029E-04 | 60.99 |
| -678.02613782 | 0.8018E-04 | 61.06 |
| -678.02614440 | 0.8011E-04 | 61.14 |
| -678.02614152 | 0.7997E-04 | 61.22 |
| -678.02613671 | 0.7987E-04 | 61.30 |
| -678.02614081 | 0.7977E-04 | 61.38 |
| -678.02614360 | 0.7970E-04 | 61.46 |
| -678.02614543 | 0.7963E-04 | 61.54 |
| -678.02614583 | 0.7953E-04 | 61.62 |
| -678.02614492 | 0.7945E-04 | 61.70 |
| -678.02614383 | 0.7937E-04 | 61.79 |
| -678.02614208 | 0.7926E-04 | 61.86 |
| -678.02613812 | 0.7916E-04 | 61.94 |
| -678.02613509 | 0.7907E-04 | 62.02 |
| -678.02614012 | 0.7900E-04 | 62.09 |
| -678.02614218 | 0.7893E-04 | 62.17 |
| -678.02614524 | 0.7883E-04 | 62.25 |
| -678.02614790 | 0.7879E-04 | 62.32 |
| -678.02614769 | 0.7706E-04 | 62.40 |
| -678.02614298 | 0.7697E-04 | 62.48 |
| -678.02614378 | 0.7690E-04 | 62.57 |
| -678.02614695 | 0.7682E-04 | 62.65 |
| -678.02615049 | 0.7674E-04 | 62.72 |
| -678.02614953 | 0.7665E-04 | 62.80 |
| -678.02614289 | 0.7654E-04 | 62.88 |
| -678.02614126 | 0.7645E-04 | 62.96 |
| -678.02614507 | 0.7637E-04 | 63.04 |
| -678.02615221 | 0.7631E-04 | 63.12 |
| -678.02615425 | 0.7622E-04 | 63.20 |
| -678.02615148 | 0.7613E-04 | 63.28 |
| -678.02615014 | 0.7603E-04 | 63.36 |
| -678.02614930 | 0.7595E-04 | 63.44 |
| -678.02614815 | 0.7586E-04 | 63.52 |
| -678.02614755 | 0.7576E-04 | 63.60 |
| -678.02614572 | 0.7565E-04 | 63.68 |
| -678.02614638 | 0.7559E-04 | 63.75 |
| -678.02614804 | 0.7550E-04 | 63.83 |
| -678.02614548 | 0.7538E-04 | 63.92 |
| -678.02614769 | 0.7527E-04 | 64.00 |
| -678.02614257 | 0.7515E-04 | 64.08 |
| -678.02614199 | 0.7507E-04 | 64.15 |
| -678.02614457 | 0.7502E-04 | 64.23 |
| -678.02614497 | 0.7491E-04 | 64.31 |
| -678.02615673 | 0.7304E-04 | 64.39 |
| -678.02616114 | 0.7297E-04 | 64.47 |
| -678.02616393 | 0.7287E-04 | 64.55 |
| -678.02616691 | 0.7279E-04 | 64.63 |
| -678.02616509 | 0.7270E-04 | 64.70 |
| -678.02616502 | 0.7259E-04 | 64.79 |
| -678.02616332 | 0.7249E-04 | 64.87 |
| -678.02616664 | 0.7243E-04 | 64.95 |
| -678.02616260 | 0.7234E-04 | 65.02 |
| -678.02616584 | 0.7225E-04 | 65.11 |
| -678.02616689 | 0.7218E-04 | 65.19 |
| -678.02616737 | 0.7208E-04 | 65.27 |
| -678.02616900 | 0.7201E-04 | 65.34 |
| -678.02616938 | 0.7192E-04 | 65.42 |
| -678.02616588 | 0.7183E-04 | 65.50 |
| -678.02615905 | 0.7172E-04 | 65.58 |
| -678.02615858 | 0.7163E-04 | 65.66 |
| -678.02616091 | 0.7160E-04 | 65.73 |
| -678.02616386 | 0.7159E-04 | 65.81 |
| -678.02616872 | 0.7153E-04 | 65.89 |
| -678.02617184 | 0.7143E-04 | 65.97 |
| -678.02617026 | 0.7137E-04 | 66.05 |
| -678.02616803 | 0.7131E-04 | 66.13 |
| -678.02615498 | 0.6977E-04 | 66.21 |
| -678.02614988 | 0.6969E-04 | 66.29 |
| -678.02615327 | 0.6962E-04 | 66.37 |
| -678.02615325 | 0.6951E-04 | 66.45 |
| -678.02615307 | 0.6945E-04 | 66.52 |
| -678.02614981 | 0.6937E-04 | 66.60 |
| -678.02615050 | 0.6927E-04 | 66.68 |
| -678.02615353 | 0.6922E-04 | 66.76 |
| -678.02615320 | 0.6914E-04 | 66.84 |
| -678.02615292 | 0.6904E-04 | 66.91 |
| -678.02615665 | 0.6897E-04 | 67.00 |
| -678.02615314 | 0.6887E-04 | 67.08 |
| -678.02615128 | 0.6879E-04 | 67.15 |
| -678.02615881 | 0.6876E-04 | 67.23 |
| -678.02615914 | 0.6867E-04 | 67.31 |
| -678.02615734 | 0.6858E-04 | 67.39 |
| -678.02616194 | 0.6851E-04 | 67.47 |
| -678.02616217 | 0.6846E-04 | 67.55 |
| -678.02616043 | 0.6837E-04 | 67.63 |
| -678.02616498 | 0.6831E-04 | 67.71 |
| -678.02616184 | 0.6822E-04 | 67.79 |
| -678.02615572 | 0.6697E-04 | 67.86 |
| -678.02615555 | 0.6689E-04 | 67.94 |
| -678.02615857 | 0.6680E-04 | 68.02 |
| -678.02616015 | 0.6679E-04 | 68.10 |
| -678.02615869 | 0.6669E-04 | 68.18 |
| -678.02615401 | 0.6659E-04 | 68.26 |
| -678.02615500 | 0.6651E-04 | 68.34 |
| -678.02616008 | 0.6647E-04 | 68.42 |
| -678.02616447 | 0.6642E-04 | 68.49 |
| -678.02616333 | 0.6631E-04 | 68.57 |
| -678.02616264 | 0.6623E-04 | 68.65 |
| -678.02615841 | 0.6613E-04 | 68.73 |
| -678.02616216 | 0.6608E-04 | 68.81 |
| -678.02615913 | 0.6600E-04 | 68.89 |
| -678.02615470 | 0.6592E-04 | 68.97 |
| -678.02615738 | 0.6583E-04 | 69.05 |
| -678.02615730 | 0.6575E-04 | 69.13 |
| -678.02615268 | 0.6565E-04 | 69.21 |
| -678.02615087 | 0.6558E-04 | 69.29 |
| -678.02614102 | 0.6438E-04 | 69.36 |
| -678.02613779 | 0.6431E-04 | 69.44 |
| -678.02614005 | 0.6428E-04 | 69.52 |
| -678.02614450 | 0.6422E-04 | 69.60 |
| -678.02614276 | 0.6415E-04 | 69.68 |
| -678.02614195 | 0.6407E-04 | 69.76 |
| -678.02614750 | 0.6405E-04 | 69.84 |
| -678.02614497 | 0.6395E-04 | 69.91 |
| -678.02614303 | 0.6388E-04 | 70.00 |
| -678.02614084 | 0.6379E-04 | 70.07 |
| -678.02614102 | 0.6371E-04 | 70.15 |
| -678.02614069 | 0.6364E-04 | 70.23 |
| -678.02614325 | 0.6358E-04 | 70.31 |
| -678.02614419 | 0.6351E-04 | 70.39 |
| -678.02614910 | 0.6346E-04 | 70.47 |
| -678.02615538 | 0.6358E-04 | 70.55 |
| -678.02615457 | 0.6351E-04 | 70.62 |
| -678.02615899 | 0.6348E-04 | 70.70 |
| -678.02615985 | 0.6340E-04 | 70.78 |
| -678.02616131 | 0.6231E-04 | 70.86 |
| -678.02615829 | 0.6222E-04 | 70.94 |
| -678.02615688 | 0.6216E-04 | 71.02 |
| -678.02615490 | 0.6209E-04 | 71.09 |
| -678.02615363 | 0.6201E-04 | 71.17 |
| -678.02615489 | 0.6195E-04 | 71.25 |
| -678.02615807 | 0.6188E-04 | 71.33 |
| -678.02615679 | 0.6178E-04 | 71.40 |
| -678.02615464 | 0.6169E-04 | 71.49 |
| -678.02615643 | 0.6165E-04 | 71.56 |
| -678.02615842 | 0.6159E-04 | 71.65 |
| -678.02616022 | 0.6152E-04 | 71.72 |
| -678.02615852 | 0.6146E-04 | 71.80 |
| -678.02615878 | 0.6139E-04 | 71.88 |
| -678.02615792 | 0.6132E-04 | 71.96 |
| -678.02615826 | 0.6127E-04 | 72.04 |
| -678.02615491 | 0.6121E-04 | 72.11 |
| -678.02615734 | 0.6115E-04 | 72.19 |
| -678.02615297 | 0.6105E-04 | 72.27 |
| -678.02617035 | 0.6004E-04 | 72.35 |
| -678.02616798 | 0.5995E-04 | 72.43 |
| -678.02617029 | 0.5990E-04 | 72.50 |
| -678.02616904 | 0.5981E-04 | 72.58 |
| -678.02616735 | 0.5973E-04 | 72.66 |
| -678.02616537 | 0.5965E-04 | 72.74 |
| -678.02616394 | 0.5958E-04 | 72.81 |
| -678.02616598 | 0.5950E-04 | 72.89 |
| -678.02616716 | 0.5944E-04 | 72.98 |
| -678.02616611 | 0.5936E-04 | 73.05 |
| -678.02616336 | 0.5928E-04 | 73.13 |
| -678.02616636 | 0.5923E-04 | 73.20 |
| -678.02616889 | 0.5916E-04 | 73.28 |
| -678.02616900 | 0.5911E-04 | 73.36 |
| -678.02616696 | 0.5904E-04 | 73.44 |
| -678.02616583 | 0.5896E-04 | 73.52 |
| -678.02615914 | 0.5783E-04 | 73.60 |
| -678.02615795 | 0.5776E-04 | 73.68 |
| -678.02615490 | 0.5769E-04 | 73.76 |
| -678.02615644 | 0.5760E-04 | 73.85 |
| -678.02615450 | 0.5754E-04 | 73.92 |
| -678.02615217 | 0.5747E-04 | 74.00 |
| -678.02615314 | 0.5741E-04 | 74.08 |
| -678.02615433 | 0.5735E-04 | 74.16 |
| -678.02615389 | 0.5728E-04 | 74.24 |
| -678.02615164 | 0.5718E-04 | 74.31 |
| -678.02615352 | 0.5713E-04 | 74.39 |
| -678.02615113 | 0.5706E-04 | 74.46 |
| -678.02615077 | 0.5696E-04 | 74.55 |
| -678.02615409 | 0.5691E-04 | 74.62 |
| -678.02615055 | 0.5682E-04 | 74.70 |
| -678.02615794 | 0.5592E-04 | 74.78 |
| -678.02615776 | 0.5585E-04 | 74.85 |
| -678.02615667 | 0.5577E-04 | 74.94 |
| -678.02615319 | 0.5568E-04 | 75.02 |
| -678.02615379 | 0.5562E-04 | 75.10 |
| -678.02615464 | 0.5557E-04 | 75.18 |
| -678.02615203 | 0.5550E-04 | 75.27 |
| -678.02615243 | 0.5544E-04 | 75.34 |
| -678.02615116 | 0.5536E-04 | 75.42 |
| -678.02614639 | 0.5527E-04 | 75.50 |
| -678.02614791 | 0.5521E-04 | 75.58 |
| -678.02615026 | 0.5511E-04 | 75.65 |
| -678.02614942 | 0.5503E-04 | 75.73 |
| -678.02614673 | 0.5497E-04 | 75.81 |
| -678.02614232 | 0.5402E-04 | 75.89 |
| -678.02613952 | 0.5396E-04 | 75.97 |
| -678.02613960 | 0.5388E-04 | 76.04 |
| -678.02614138 | 0.5380E-04 | 76.12 |
| -678.02613691 | 0.5372E-04 | 76.20 |
| -678.02613509 | 0.5364E-04 | 76.27 |
| -678.02613559 | 0.5357E-04 | 76.35 |
| -678.02613508 | 0.5351E-04 | 76.43 |
| -678.02613130 | 0.5346E-04 | 76.51 |
| -678.02613221 | 0.5338E-04 | 76.59 |
| -678.02612745 | 0.5331E-04 | 76.67 |
| -678.02612716 | 0.5324E-04 | 76.75 |
| -678.02613130 | 0.5234E-04 | 76.83 |
| -678.02613110 | 0.5229E-04 | 76.91 |
| -678.02613012 | 0.5219E-04 | 76.99 |
| -678.02612791 | 0.5210E-04 | 77.07 |
| -678.02612558 | 0.5204E-04 | 77.15 |
| -678.02612552 | 0.5197E-04 | 77.23 |
| -678.02612447 | 0.5191E-04 | 77.30 |
| -678.02612108 | 0.5184E-04 | 77.38 |
| -678.02612098 | 0.5174E-04 | 77.46 |
| -678.02612094 | 0.5168E-04 | 77.54 |
| -678.02612232 | 0.5161E-04 | 77.62 |
| -678.02612355 | 0.5155E-04 | 77.71 |
| -678.02612059 | 0.5069E-04 | 77.79 |
| -678.02611880 | 0.5060E-04 | 77.86 |
| -678.02612063 | 0.5055E-04 | 77.94 |
| -678.02611786 | 0.5047E-04 | 78.02 |
| -678.02611466 | 0.5036E-04 | 78.10 |
| -678.02611630 | 0.5032E-04 | 78.19 |
| -678.02611470 | 0.5026E-04 | 78.26 |
| -678.02611478 | 0.5020E-04 | 78.34 |
| -678.02612004 | 0.5015E-04 | 78.42 |
| -678.02612418 | 0.5010E-04 | 78.49 |
| -678.02612357 | 0.5002E-04 | 78.57 |
| -678.02612293 | 0.4995E-04 | 78.65 |
| -678.02613445 | 0.4907E-04 | 78.73 |
| -678.02613221 | 0.4900E-04 | 78.81 |
| -678.02613527 | 0.4894E-04 | 78.89 |
| -678.02613702 | 0.4888E-04 | 78.97 |
| -678.02613896 | 0.4881E-04 | 79.05 |
| -678.02613684 | 0.4873E-04 | 79.13 |
| -678.02613470 | 0.4867E-04 | 79.21 |
| -678.02613781 | 0.4861E-04 | 79.28 |
| -678.02613974 | 0.4856E-04 | 79.36 |
| -678.02614119 | 0.4849E-04 | 79.44 |
| -678.02614307 | 0.4843E-04 | 79.52 |
| -678.02614297 | 0.4838E-04 | 79.59 |
| -678.02613973 | 0.4753E-04 | 79.67 |
| -678.02614170 | 0.4746E-04 | 79.75 |
| -678.02614230 | 0.4742E-04 | 79.83 |
| -678.02614456 | 0.4737E-04 | 79.90 |
| -678.02614842 | 0.4732E-04 | 79.98 |
| -678.02614726 | 0.4726E-04 | 80.06 |
| -678.02614741 | 0.4721E-04 | 80.14 |
| -678.02615364 | 0.4719E-04 | 80.22 |
| -678.02615748 | 0.4714E-04 | 80.30 |
| -678.02615762 | 0.4709E-04 | 80.38 |
| -678.02616047 | 0.4702E-04 | 80.45 |
| -678.02616411 | 0.4630E-04 | 80.53 |
| -678.02616417 | 0.4623E-04 | 80.61 |
| -678.02616231 | 0.4616E-04 | 80.69 |
| -678.02616318 | 0.4611E-04 | 80.77 |
| -678.02616480 | 0.4603E-04 | 80.84 |
| -678.02616143 | 0.4598E-04 | 80.92 |
| -678.02616482 | 0.4592E-04 | 81.00 |
| -678.02616304 | 0.4587E-04 | 81.08 |
| -678.02616319 | 0.4583E-04 | 81.15 |
| -678.02616463 | 0.4580E-04 | 81.23 |
| -678.02616151 | 0.4573E-04 | 81.31 |
| -678.02615473 | 0.4498E-04 | 81.39 |
| -678.02615426 | 0.4491E-04 | 81.46 |
| -678.02615121 | 0.4485E-04 | 81.54 |
| -678.02615338 | 0.4481E-04 | 81.62 |
| -678.02615470 | 0.4474E-04 | 81.70 |
| -678.02615448 | 0.4469E-04 | 81.78 |
| -678.02615370 | 0.4464E-04 | 81.86 |
| -678.02615460 | 0.4459E-04 | 81.94 |
| -678.02615394 | 0.4454E-04 | 82.01 |
| -678.02615664 | 0.4451E-04 | 82.09 |
| -678.02615046 | 0.4362E-04 | 82.17 |
| -678.02615045 | 0.4357E-04 | 82.25 |
| -678.02615281 | 0.4353E-04 | 82.33 |
| -678.02615124 | 0.4346E-04 | 82.41 |
| -678.02615002 | 0.4338E-04 | 82.49 |
| -678.02615271 | 0.4335E-04 | 82.57 |
| -678.02615277 | 0.4328E-04 | 82.65 |
| -678.02615360 | 0.4324E-04 | 82.72 |
| -678.02615376 | 0.4317E-04 | 82.80 |
| -678.02615303 | 0.4252E-04 | 82.88 |
| -678.02615138 | 0.4244E-04 | 82.96 |
| -678.02615067 | 0.4237E-04 | 83.04 |
| -678.02614987 | 0.4230E-04 | 83.12 |
| -678.02615401 | 0.4224E-04 | 83.20 |
| -678.02614989 | 0.4217E-04 | 83.28 |
| -678.02615106 | 0.4213E-04 | 83.36 |
| -678.02615319 | 0.4206E-04 | 83.44 |
| -678.02615486 | 0.4141E-04 | 83.51 |
| -678.02615419 | 0.4135E-04 | 83.60 |
| -678.02615386 | 0.4130E-04 | 83.67 |
| -678.02615093 | 0.4124E-04 | 83.75 |
| -678.02615199 | 0.4119E-04 | 83.84 |
| -678.02615223 | 0.4112E-04 | 83.91 |
| -678.02615326 | 0.4107E-04 | 83.99 |
| -678.02615615 | 0.4100E-04 | 84.07 |
| -678.02615165 | 0.4034E-04 | 84.15 |
| -678.02614927 | 0.4029E-04 | 84.23 |
| -678.02614987 | 0.4021E-04 | 84.31 |
| -678.02615164 | 0.4016E-04 | 84.39 |
| -678.02615207 | 0.4010E-04 | 84.46 |
| -678.02615418 | 0.4004E-04 | 84.54 |
| -678.02615092 | 0.3997E-04 | 84.62 |
| -678.02616582 | 0.3944E-04 | 84.70 |
| -678.02616775 | 0.3939E-04 | 84.77 |
| -678.02617019 | 0.3935E-04 | 84.85 |
| -678.02617126 | 0.3931E-04 | 84.93 |
| -678.02617128 | 0.3927E-04 | 85.01 |
| -678.02617002 | 0.3919E-04 | 85.09 |
| -678.02617075 | 0.3911E-04 | 85.17 |
| -678.02617422 | 0.3904E-04 | 85.25 |
| -678.02618247 | 0.3847E-04 | 85.33 |
| -678.02618352 | 0.3840E-04 | 85.40 |
| -678.02618190 | 0.3834E-04 | 85.48 |
| -678.02617939 | 0.3828E-04 | 85.56 |
| -678.02618154 | 0.3822E-04 | 85.64 |
| -678.02617862 | 0.3815E-04 | 85.72 |
| -678.02617777 | 0.3807E-04 | 85.80 |
| -678.02617404 | 0.3749E-04 | 85.87 |
| -678.02617603 | 0.3744E-04 | 85.95 |
| -678.02617808 | 0.3737E-04 | 86.03 |
| -678.02618080 | 0.3733E-04 | 86.11 |
| -678.02617940 | 0.3726E-04 | 86.19 |
| -678.02617986 | 0.3720E-04 | 86.27 |
| -678.02617795 | 0.3714E-04 | 86.34 |
| -678.02617908 | 0.3662E-04 | 86.42 |
| -678.02617793 | 0.3655E-04 | 86.50 |
| -678.02617915 | 0.3651E-04 | 86.58 |
| -678.02617719 | 0.3643E-04 | 86.66 |
| -678.02617724 | 0.3637E-04 | 86.74 |
| -678.02617452 | 0.3631E-04 | 86.82 |
| -678.02617518 | 0.3582E-04 | 86.90 |
| -678.02617712 | 0.3577E-04 | 86.97 |
| -678.02617633 | 0.3572E-04 | 87.05 |
| -678.02617535 | 0.3565E-04 | 87.13 |
| -678.02617734 | 0.3563E-04 | 87.21 |
| -678.02617815 | 0.3556E-04 | 87.29 |
| -678.02618018 | 0.3553E-04 | 87.37 |
| -678.02617850 | 0.3504E-04 | 87.45 |
| -678.02618020 | 0.3501E-04 | 87.52 |
| -678.02617940 | 0.3494E-04 | 87.61 |
| -678.02618233 | 0.3492E-04 | 87.68 |
| -678.02618474 | 0.3494E-04 | 87.76 |
| -678.02618518 | 0.3488E-04 | 87.84 |
| -678.02618727 | 0.3443E-04 | 87.92 |
| -678.02618547 | 0.3437E-04 | 88.00 |
| -678.02618445 | 0.3430E-04 | 88.08 |
| -678.02618127 | 0.3422E-04 | 88.16 |
| -678.02618363 | 0.3417E-04 | 88.24 |
| -678.02617928 | 0.3371E-04 | 88.32 |
| -678.02617870 | 0.3365E-04 | 88.39 |
| -678.02617628 | 0.3358E-04 | 88.47 |
| -678.02617627 | 0.3351E-04 | 88.55 |
| -678.02617889 | 0.3345E-04 | 88.63 |
| -678.02617785 | 0.3338E-04 | 88.71 |
| -678.02618560 | 0.3297E-04 | 88.78 |
| -678.02618771 | 0.3294E-04 | 88.86 |
| -678.02618681 | 0.3287E-04 | 88.94 |
| -678.02618672 | 0.3282E-04 | 89.02 |
| -678.02618357 | 0.3274E-04 | 89.10 |
| -678.02618492 | 0.3232E-04 | 89.18 |
| -678.02618371 | 0.3227E-04 | 89.26 |
| -678.02618050 | 0.3219E-04 | 89.33 |
| -678.02618041 | 0.3212E-04 | 89.41 |
| -678.02618180 | 0.3206E-04 | 89.49 |
| -678.02618088 | 0.3200E-04 | 89.57 |
| -678.02617848 | 0.3158E-04 | 89.65 |
| -678.02617863 | 0.3152E-04 | 89.73 |
| -678.02618032 | 0.3146E-04 | 89.80 |
| -678.02617879 | 0.3138E-04 | 89.88 |
| -678.02617776 | 0.3133E-04 | 89.96 |
| -678.02617076 | 0.3088E-04 | 90.04 |
| -678.02617168 | 0.3082E-04 | 90.11 |
| -678.02616965 | 0.3076E-04 | 90.19 |
| -678.02616714 | 0.3071E-04 | 90.27 |
| -678.02616596 | 0.3064E-04 | 90.35 |
| -678.02616625 | 0.3014E-04 | 90.43 |
| -678.02616327 | 0.3009E-04 | 90.50 |
| -678.02616232 | 0.3002E-04 | 90.58 |
| -678.02616184 | 0.2997E-04 | 90.66 |
| -678.02615604 | 0.2953E-04 | 90.74 |
| -678.02615556 | 0.2947E-04 | 90.82 |
| -678.02615670 | 0.2941E-04 | 90.89 |
| -678.02615649 | 0.2936E-04 | 90.97 |
| -678.02616310 | 0.2938E-04 | 91.05 |
| -678.02616245 | 0.2888E-04 | 91.13 |
| -678.02616312 | 0.2884E-04 | 91.20 |
| -678.02616365 | 0.2879E-04 | 91.28 |
| -678.02616312 | 0.2871E-04 | 91.36 |
| -678.02616086 | 0.2833E-04 | 91.44 |
| -678.02615771 | 0.2825E-04 | 91.51 |
| -678.02615626 | 0.2818E-04 | 91.59 |
| -678.02615931 | 0.2814E-04 | 91.66 |
| -678.02616887 | 0.2780E-04 | 91.74 |
| -678.02617029 | 0.2774E-04 | 91.82 |
| -678.02617612 | 0.2777E-04 | 91.90 |
| -678.02617396 | 0.2737E-04 | 91.97 |
| -678.02617399 | 0.2732E-04 | 92.05 |
| -678.02617014 | 0.2725E-04 | 92.13 |
| -678.02616998 | 0.2718E-04 | 92.21 |
| -678.02616179 | 0.2668E-04 | 92.29 |
| -678.02616234 | 0.2662E-04 | 92.37 |
| -678.02616124 | 0.2657E-04 | 92.45 |
| -678.02616000 | 0.2651E-04 | 92.53 |
| -678.02616198 | 0.2611E-04 | 92.60 |
| -678.02616136 | 0.2604E-04 | 92.68 |
| -678.02616130 | 0.2597E-04 | 92.76 |
| -678.02616185 | 0.2591E-04 | 92.84 |
| -678.02616177 | 0.2548E-04 | 92.91 |
| -678.02616136 | 0.2541E-04 | 92.99 |
| -678.02616314 | 0.2537E-04 | 93.07 |
| -678.02617021 | 0.2499E-04 | 93.14 |
| -678.02616943 | 0.2494E-04 | 93.22 |
| -678.02617273 | 0.2492E-04 | 93.30 |
| -678.02617500 | 0.2488E-04 | 93.38 |
| -678.02617300 | 0.2448E-04 | 93.46 |
| -678.02617302 | 0.2442E-04 | 93.54 |
| -678.02617209 | 0.2439E-04 | 93.61 |
| -678.02617414 | 0.2406E-04 | 93.69 |
| -678.02617676 | 0.2410E-04 | 93.77 |
| -678.02617562 | 0.2406E-04 | 93.85 |
| -678.02617938 | 0.2373E-04 | 93.93 |
| -678.02618064 | 0.2368E-04 | 94.01 |
| -678.02618173 | 0.2362E-04 | 94.08 |
| -678.02618058 | 0.2323E-04 | 94.16 |
| -678.02618107 | 0.2316E-04 | 94.24 |
| -678.02618296 | 0.2310E-04 | 94.32 |
| -678.02618398 | 0.2280E-04 | 94.39 |
| -678.02618232 | 0.2273E-04 | 94.47 |
| -678.02618422 | 0.2270E-04 | 94.55 |
| -678.02618516 | 0.2235E-04 | 94.63 |
| -678.02618629 | 0.2229E-04 | 94.71 |
| -678.02618629 | 0.2223E-04 | 94.79 |
| -678.02618365 | 0.2188E-04 | 94.87 |
| -678.02618400 | 0.2183E-04 | 94.95 |
| -678.02618779 | 0.2150E-04 | 95.03 |
| -678.02618830 | 0.2145E-04 | 95.11 |
| -678.02618978 | 0.2147E-04 | 95.18 |
| -678.02619583 | 0.2111E-04 | 95.26 |
| -678.02619640 | 0.2104E-04 | 95.34 |
| -678.02619921 | 0.2067E-04 | 95.42 |
| -678.02619815 | 0.2060E-04 | 95.49 |
| -678.02619776 | 0.2054E-04 | 95.57 |
| -678.02620404 | 0.2023E-04 | 95.65 |
| -678.02620317 | 0.2015E-04 | 95.73 |
| -678.02619689 | 0.1986E-04 | 95.81 |
| -678.02619689 | 0.1980E-04 | 95.89 |
| -678.02619850 | 0.1951E-04 | 95.97 |
| -678.02619782 | 0.1945E-04 | 96.05 |
| -678.02619230 | 0.1917E-04 | 96.13 |
| -678.02619228 | 0.1912E-04 | 96.21 |
| -678.02619382 | 0.1886E-04 | 96.28 |
| -678.02619348 | 0.1881E-04 | 96.36 |
| -678.02619157 | 0.1854E-04 | 96.44 |
| -678.02619041 | 0.1846E-04 | 96.51 |
| -678.02619367 | 0.1816E-04 | 96.59 |
| -678.02619373 | 0.1811E-04 | 96.67 |
| -678.02619115 | 0.1784E-04 | 96.74 |
| -678.02619245 | 0.1777E-04 | 96.82 |
| -678.02619253 | 0.1751E-04 | 96.90 |
| -678.02619672 | 0.1752E-04 | 96.98 |
| -678.02619439 | 0.1725E-04 | 97.06 |
| -678.02619572 | 0.1702E-04 | 97.14 |
| -678.02619563 | 0.1697E-04 | 97.22 |
| -678.02619526 | 0.1673E-04 | 97.29 |
| -678.02619687 | 0.1669E-04 | 97.37 |
| -678.02619812 | 0.1645E-04 | 97.45 |
| -678.02619809 | 0.1639E-04 | 97.52 |
| -678.02619166 | 0.1605E-04 | 97.60 |
| -678.02619434 | 0.1577E-04 | 97.68 |
| -678.02619324 | 0.1569E-04 | 97.76 |
| -678.02619365 | 0.1543E-04 | 97.84 |
| -678.02619607 | 0.1512E-04 | 97.92 |
| -678.02619644 | 0.1506E-04 | 97.99 |
| -678.02619676 | 0.1462E-04 | 98.07 |
| -678.02619464 | 0.1412E-04 | 98.15 |
| -678.02619330 | 0.1404E-04 | 98.22 |
| -678.02618564 | 0.1321E-04 | 98.30 |
| -678.02618389 | 0.1254E-04 | 98.38 |
| -678.02618403 | 0.1248E-04 | 98.45 |
| -678.02618872 | 0.1208E-04 | 98.53 |
| -678.02618541 | 0.1160E-04 | 98.61 |
| -678.02618790 | 0.1158E-04 | 98.69 |
| -678.02618850 | 0.1098E-04 | 98.76 |
| -678.02618992 | 0.1039E-04 | 98.84 |
| -678.02618425 | 0.9926E-05 | 98.92 |
| -678.02618449 | 0.9871E-05 | 99.00 |
| -678.02618196 | 0.9397E-05 | 99.07 |
| -678.02618322 | 0.8616E-05 | 99.15 |
| -678.02618705 | 0.8099E-05 | 99.23 |
| -678.02618758 | 0.8081E-05 | 99.31 |
| -678.02618891 | 0.7384E-05 | 99.39 |
| -678.02618188 | 0.5774E-05 | 99.46 |
| -678.02618004 | 0.4525E-05 | 99.54 |
| -678.02617763 | 0.3286E-05 | 99.62 |
| -678.02617839 | 0.3286E-05 | 99.69 |
| -678.02617826 | 0.1864E-05 | 99.77 |
| -678.02617811 | 0.1849E-05 | 99.85 |
| -678.02617949 | 0.1036E-05 | 99.92 |
|---------------+------------+-------|
Time: 1328.17061614990 s
E(CCSD(T)) = -678.026179485578 Ha
E(T) = -0.088560748615 Ha
Correlation = -2.231076152399 Ha
#+begin_src gnuplot :var data=caffeine_svp :results file :file caffeine_svp.png
reset
set grid
set format y "%10.4f"
set ylabel "(T) (a.u)"
set xlabel "Wall clock time (s)"
set yrange[-678.027:-678.025]
plot data using :1:2 w errorlines notitle, -678.026179485578 notitle
#+end_src
#+RESULTS:
[[file:caffeine_svp.png]]
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
* Vibration F2
** Script to compute frequencies in cm-1
#+begin_src bash :output raw
tail -20 fit.log
#+end_src
#+NAME:freq_
#+begin_src python :var a=1.2526 :var De=0.7 :results output :output drawer
#!/usr/bin/env python
"""Converts vibrational frequencies from atomic units to cm-1 for diatomics."""
import sys
from math import sqrt, pi
# Atomic masses obtained using
# import periodictable as pt
# for el in pt.elements:
# mass[el.symbol] = sorted([ (el[x].abundance,el[x].mass) for x in el.isotopes ])[-1][1]
mass = {'H': 1.0078250321, 'He': 4.0026032497, 'Li': 7.016004, 'Be': 9.0121821, 'B': 11.0093055, 'C': 12.0, 'N': 14.0030740052, 'O': 15.9949146221, 'F': 18.9984032, 'Ne': 19.9924401759, 'Na': 22.98976967, 'Mg': 23.9850419, 'Al': 26.98153844, 'Si': 27.9769265327, 'P': 30.97376151, 'S': 31.97207069, 'Cl': 34.96885271, 'Ar': 39.962383123, 'K': 38.9637069, 'Ca': 39.9625912, 'Sc': 44.9559102, 'Ti': 47.9479471, 'V': 50.9439637, 'Cr': 51.9405119, 'Mn': 54.9380496, 'Fe': 55.9349421, 'Co': 58.9332002, 'Ni': 57.9353479, 'Cu': 62.9296011, 'Zn': 63.9291466, 'Ga': 68.925581, 'Ge': 73.9211782, 'As': 74.9215964, 'Se': 79.9165218, 'Br': 78.9183376, 'Kr': 83.911507, 'Rb': 84.9117893, 'Sr': 87.9056143, 'Y': 88.9058479, 'Zr': 89.9047037, 'Nb': 92.9063775, 'Mo': 97.9054078, 'Tc': 114.93828, 'Ru': 101.9043495, 'Rh': 102.905504, 'Pd': 105.903483, 'Ag': 106.905093, 'Cd': 113.9033581, 'In': 114.903878, 'Sn': 119.9021966, 'Sb': 120.903818, 'Te': 129.9062228, 'I': 126.904468, 'Xe': 131.9041545, 'Cs': 132.905447, 'Ba': 137.905241, 'La': 138.906348, 'Ce': 139.905434, 'Pr': 140.907648, 'Nd': 141.907719, 'Pm': 162.95352, 'Sm': 151.919728, 'Eu': 152.921226, 'Gd': 157.924101, 'Tb': 158.925343, 'Dy': 163.929171, 'Ho': 164.930319, 'Er': 165.93029, 'Tm': 168.934211, 'Yb': 173.9388581, 'Lu': 174.9407679, 'Hf': 179.9465488, 'Ta': 180.947996, 'W': 183.9509326, 'Re': 186.9557508, 'Os': 191.961479, 'Ir': 192.962924, 'Pt': 194.964774, 'Au': 196.966552, 'Hg': 201.970626, 'Tl': 204.974412, 'Pb': 207.976636, 'Bi': 208.980383, 'Po': 218.0089658, 'At': 223.02534, 'Rn': 228.03808, 'Fr': 232.04965, 'Ra': 234.05055, 'Ac': 236.05518, 'Th': 232.0380504, 'Pa': 231.0358789, 'U': 238.0507826, 'Np': 244.06785, 'Pu': 247.07407, 'Am': 249.07848, 'Cm': 252.08487, 'Bk': 254.0906, 'Cf': 256.09344, 'Es': 257.09598, 'Fm': 259.10059, 'Md': 260.10365, 'No': 262.10752, 'Lr': 263.11139, 'Rf': 264.11398, 'Db': 265.11866, 'Sg': 266.12193, 'Bh': 267.12774, 'Hs': 269.13411, 'Mt': 271.14123, 'Ds': 273.14925, 'Rg': 272.15348, 'Cn': 0, 'Nh': 0, 'Fl': 0, 'Mc': 0, 'Lv': 0, 'Ts': 0, 'Og': 0}
def convert(e1,e2,f):
# Conversion factors
hartree = 4.3597447222071e-18 # joules
bohr = 1./18897161646.321 # m
amu = 1.6605402e-27 # kg
c = 299792458.0 # m/s
mole = 6.02214076e23
# Reduced mass in kg
mu = mass[e1]*mass[e2] / (mass[e1]+mass[e2]) * amu
# Frequency in reduced coordinates
lam = (f * hartree / (bohr*bohr) ) / mu
# Convert to wave numbers
nu = sqrt(lam)/(2.*pi*c) * 0.01
return nu
#print("Frequency (in hartree/bohr^2) ? "),
a = float(a)
f = De*2.*a*a
print( convert('F','F',f) )
#+end_src
#+RESULTS: freq_
: 2471.921716627526
** CCSD
NIST Computational Chemistry Comparison and Benchmark Database,
NIST Standard Reference Database Number 101
Release 22, May 2022, Editor: Russell D. Johnson III
http://cccbdb.nist.gov/
Reference: 1016 cm^-1
#+name:f2_ccsd
| 1.20 | -199.300901502767 |
| 1.25 | -199.320245823796 |
| 1.30 | -199.331634513014 |
| 1.35 | -199.337115250478 |
| 1.40 | -199.338256839462 |
| 1.45 | -199.336266825958 |
| 1.50 | -199.332076468455 |
#+begin_src gnuplot :var data=f2_ccsd :results file :file f2_ccsd.png
reset
a0 = 1.8897161646321
E(r) = De * (1-exp(-a*(r-re)))**2 + E0
a = 1.40546
re = 2.66544
De = 0.0718256
E0 = -199.358
set xrange [2:5]
fit E(x) data using ($1*a0):2 via a, re, De, E0
plot E(x), data using ($1*a0):2 w p
#+end_src
#+RESULTS:
[[file:f2_ccsd.png]]
#+begin_example
a = 1.18566 +/- 0.001801 (0.1519%)
re = 2.62779 +/- 4.734e-05 (0.001801%)
De = 0.131861 +/- 0.0004739 (0.3594%)
E0 = -199.338 +/- 3.212e-06 (1.612e-06%)
#+end_example
#+CALL:freq(1.18566,0.131861)
#+RESULTS:
: 1015.5273789489723
** CCSD(T) exact
Harmonic CCSD(T)/cc-pVQZ: 921 cm^-1
Experimental: 894 cm^-1
#+name:f2_ccsdt_ex
| 1.20 | -199.316930965941 |
| 1.25 | -199.337265800989 |
| 1.30 | -199.349733323061 |
| 1.35 | -199.356388989864 |
| 1.40 | -199.358812230238 |
| 1.45 | -199.358223196104 |
| 1.50 | -199.355566745188 |
#+begin_src gnuplot :var data=f2_ccsdt_ex :results file :file f2_ccsdt_ex.png
reset
a0 = 1.8897161646321
E(r) = De * (1-exp(-a*(r-re)))**2 + E0
a = 1.40546
re = 2.66544
De = 0.0718256
E0 = -199.358
set xrange [2:4]
fit E(x) data using ($1*a0):2 via a, re, De, E0
plot E(x), data using ($1*a0):2 w p
#+end_src
#+RESULTS:
[[file:f2_ccsdt_ex.png]]
#+begin_example
a = 1.26212 +/- 0.003274 (0.2594%)
re = 2.67046 +/- 9.555e-05 (0.003578%)
De = 0.0956201 +/- 0.0006465 (0.6761%)
E0 = -199.359 +/- 5.345e-06 (2.681e-06%)
#+end_example
#+CALL:freq(1.26212,0.0956201)
#+RESULTS:
: 920.5524350188175
* Vibration CuCl
23 + 23 electrons = 46 electrons
6 frozen orbitals (12 electrons)
163 MOs total
34 electrons in 157 MOs
** Script to compute frequencies in cm-1
#+begin_src bash :output raw
tail -20 fit.log
#+end_src
#+RESULTS:
| final | sum | of | squares | of | residuals | : | 1.94178e-06 | |
| rel. | change | during | last | iteration | : | -3.41338e-13 | | |
| | | | | | | | | |
| degrees | of | freedom | (FIT_NDF) | : | 17 | | | |
| rms | of | residuals | (FIT_STDFIT) | = | sqrt(WSSR/ndf) | : | 0.000337968 | |
| variance | of | residuals | (reduced | chisquare) | = | WSSR/ndf | : | 1.14222e-07 |
| | | | | | | | | |
| Final | set | of | parameters | Asymptotic | Standard | Error | | |
| ======================= | ========================== | | | | | | | |
| a | = | 0.8637 | +/- | 0.005479 | (0.6344%) | | | |
| re | = | 3.948 | +/- | 0.001468 | (0.03719%) | | | |
| De | = | 0.0912735 | +/- | 0.001791 | (1.962%) | | | |
| E0 | = | -2099.73 | +/- | 0.0001235 | (5.883e-06%) | | | |
| | | | | | | | | |
| correlation | matrix | of | the | fit | parameters: | | | |
| a | re | De | E0 | | | | | |
| a | 1.0 | | | | | | | |
| re | -0.108 | 1.0 | | | | | | |
| De | -0.972 | -0.122 | 1.0 | | | | | |
| E0 | 0.677 | 0.055 | -0.711 | 1.0 | | | | |
#+NAME:freq
#+begin_src python :var a=1.2526 :var De=0.7 :results output :output drawer
#!/usr/bin/env python
"""Converts vibrational frequencies from atomic units to cm-1 for diatomics."""
import sys
from math import sqrt, pi
# Atomic masses obtained using
# import periodictable as pt
# for el in pt.elements:
# mass[el.symbol] = sorted([ (el[x].abundance,el[x].mass) for x in el.isotopes ])[-1][1]
mass = {'H': 1.0078250321, 'He': 4.0026032497, 'Li': 7.016004, 'Be': 9.0121821, 'B': 11.0093055, 'C': 12.0, 'N': 14.0030740052, 'O': 15.9949146221, 'F': 18.9984032, 'Ne': 19.9924401759, 'Na': 22.98976967, 'Mg': 23.9850419, 'Al': 26.98153844, 'Si': 27.9769265327, 'P': 30.97376151, 'S': 31.97207069, 'Cl': 34.96885271, 'Ar': 39.962383123, 'K': 38.9637069, 'Ca': 39.9625912, 'Sc': 44.9559102, 'Ti': 47.9479471, 'V': 50.9439637, 'Cr': 51.9405119, 'Mn': 54.9380496, 'Fe': 55.9349421, 'Co': 58.9332002, 'Ni': 57.9353479, 'Cu': 62.9296011, 'Zn': 63.9291466, 'Ga': 68.925581, 'Ge': 73.9211782, 'As': 74.9215964, 'Se': 79.9165218, 'Br': 78.9183376, 'Kr': 83.911507, 'Rb': 84.9117893, 'Sr': 87.9056143, 'Y': 88.9058479, 'Zr': 89.9047037, 'Nb': 92.9063775, 'Mo': 97.9054078, 'Tc': 114.93828, 'Ru': 101.9043495, 'Rh': 102.905504, 'Pd': 105.903483, 'Ag': 106.905093, 'Cd': 113.9033581, 'In': 114.903878, 'Sn': 119.9021966, 'Sb': 120.903818, 'Te': 129.9062228, 'I': 126.904468, 'Xe': 131.9041545, 'Cs': 132.905447, 'Ba': 137.905241, 'La': 138.906348, 'Ce': 139.905434, 'Pr': 140.907648, 'Nd': 141.907719, 'Pm': 162.95352, 'Sm': 151.919728, 'Eu': 152.921226, 'Gd': 157.924101, 'Tb': 158.925343, 'Dy': 163.929171, 'Ho': 164.930319, 'Er': 165.93029, 'Tm': 168.934211, 'Yb': 173.9388581, 'Lu': 174.9407679, 'Hf': 179.9465488, 'Ta': 180.947996, 'W': 183.9509326, 'Re': 186.9557508, 'Os': 191.961479, 'Ir': 192.962924, 'Pt': 194.964774, 'Au': 196.966552, 'Hg': 201.970626, 'Tl': 204.974412, 'Pb': 207.976636, 'Bi': 208.980383, 'Po': 218.0089658, 'At': 223.02534, 'Rn': 228.03808, 'Fr': 232.04965, 'Ra': 234.05055, 'Ac': 236.05518, 'Th': 232.0380504, 'Pa': 231.0358789, 'U': 238.0507826, 'Np': 244.06785, 'Pu': 247.07407, 'Am': 249.07848, 'Cm': 252.08487, 'Bk': 254.0906, 'Cf': 256.09344, 'Es': 257.09598, 'Fm': 259.10059, 'Md': 260.10365, 'No': 262.10752, 'Lr': 263.11139, 'Rf': 264.11398, 'Db': 265.11866, 'Sg': 266.12193, 'Bh': 267.12774, 'Hs': 269.13411, 'Mt': 271.14123, 'Ds': 273.14925, 'Rg': 272.15348, 'Cn': 0, 'Nh': 0, 'Fl': 0, 'Mc': 0, 'Lv': 0, 'Ts': 0, 'Og': 0}
def convert(e1,e2,f):
# Conversion factors
hartree = 4.3597447222071e-18 # joules
bohr = 1./18897161646.321 # m
amu = 1.6605402e-27 # kg
c = 299792458.0 # m/s
mole = 6.02214076e23
# Reduced mass in kg
mu = mass[e1]*mass[e2] / (mass[e1]+mass[e2]) * amu
# Frequency in reduced coordinates
lam = (f * hartree / (bohr*bohr) ) / mu
# Convert to wave numbers
nu = sqrt(lam)/(2.*pi*c) * 0.01
return nu
#print("Frequency (in hartree/bohr^2) ? "),
a = float(a)
f = De*2.*a*a
print( convert('Cu','Cl',f) )
#+end_src
#+RESULTS: freq
: 1606.9338540276244
** CCSD
NIST Computational Chemistry Comparison and Benchmark Database,
NIST Standard Reference Database Number 101
Release 22, May 2022, Editor: Russell D. Johnson III
http://cccbdb.nist.gov/
Reference: 418 cm^-1
#+name:cucl_ccsd
| 1.50 | -2099.486410873280 |
| 1.55 | -2099.543699210125 |
| 1.60 | -2099.589314361086 |
| 1.65 | -2099.625339778701 |
| 1.70 | -2099.653512737443 |
| 1.75 | -2099.675272554191 |
| 1.80 | -2099.691805023191 |
| 1.85 | -2099.704090874785 |
| 1.90 | -2099.712929797538 |
| 1.95 | -2099.718979067095 |
| 2.00 | -2099.722774674517 |
| 2.05 | -2099.724755534740 |
| 2.10 | -2099.725278146519 |
| 2.15 | -2099.724633969314 |
| 2.20 | -2099.723061015635 |
| 2.25 | -2099.720753446736 |
| 2.30 | -2099.717868046847 |
| 2.35 | -2099.714536050722 |
| 2.40 | -2099.710862892300 |
| 2.45 | -2099.706934614773 |
| 2.50 | -2099.702822147426 |
| 2.55 | -2099.698584961555 |
| 2.60 | -2099.694269954830 |
| 2.65 | -2099.689916001502 |
#+begin_src gnuplot :var data=cucl_ccsd :results file :file cucl_ccsd.png
reset
a0 = 1.8897161646321
E(r) = De * (1-exp(-a*(r-re)))**2 + E0
a = 1.
re = 3.9
De = 0.1
E0 = -2099.725
set xrange [2.7:5]
fit E(x) data using ($1*a0):2 via a, re, De, E0
plot E(x), data using ($1*a0):2 w p
#+end_src
#+RESULTS:
[[file:cucl_ccsd.png]]
#+begin_example
Updated curves
2024-04-18 19:23:40 +02:00
a = 0.879992 +/- 0.02833 (3.219%)
re = 3.91095 +/- 0.009327 (0.2385%)
De = 0.0946485 +/- 0.007497 (7.92%)
E0 = -2099.77 +/- 0.0007291 (3.472e-05%)
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
#+end_example
Updated curves
2024-04-18 19:23:40 +02:00
#+CALL:freq(0.879992,0.0946485)
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
#+RESULTS:
Updated curves
2024-04-18 19:23:40 +02:00
: 415.11857299491743
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
** CCSD(T) 1%
| 1.50 | -2099.53432314 | 1.4370E-03 |
| 1.55 | -2099.58890791 | 1.3630E-03 |
| 1.60 | -2099.63464947 | 1.1896E-03 |
| 1.65 | -2099.67175286 | 1.5710E-03 |
| 1.70 | -2099.69974767 | 1.6166E-03 |
| 1.75 | -2099.71877319 | 1.3199E-03 |
| 1.80 | -2099.73774273 | 1.6649E-03 |
| 1.85 | -2099.74897746 | 1.4668E-03 |
| 1.90 | -2099.75550908 | 1.4868E-03 |
| 1.95 | -2099.76232971 | 1.6105E-03 |
| 2.00 | -2099.76550160 | 1.5386E-03 |
| 2.05 | -2099.76565267 | 1.5202E-03 |
| 2.10 | -2099.76718796 | 1.7046E-03 |
| 2.15 | -2099.76485609 | 1.7470E-03 |
| 2.20 | -2099.76331490 | 1.4802E-03 |
| 2.25 | -2099.76237391 | 1.7474E-03 |
| 2.30 | -2099.76090908 | 1.9686E-03 |
| 2.35 | -2099.75681975 | 1.9951E-03 |
| 2.40 | -2099.73868918 | 8.8739E-04 |
| 2.45 | -2099.74813718 | 2.4288E-03 |
| 2.50 | -2099.74125661 | 1.6437E-03 |
| 2.55 | -2099.74031232 | 2.4057E-03 |
| 2.60 | -2099.73104343 | 1.4544E-03 |
| 2.65 | -2099.72866832 | 1.6894E-03 |
#+name:cucl_ccsdt
| 1.55 | -2099.58890791 | 1.3630E-03 |
| 1.65 | -2099.67175286 | 1.5710E-03 |
| 1.75 | -2099.71877319 | 1.3199E-03 |
| 1.85 | -2099.74897746 | 1.4668E-03 |
| 1.95 | -2099.76232971 | 1.6105E-03 |
| 2.05 | -2099.76565267 | 1.5202E-03 |
| 2.15 | -2099.76485609 | 1.7470E-03 |
| 2.25 | -2099.76237391 | 1.7474E-03 |
| 2.35 | -2099.75681975 | 1.9951E-03 |
| 2.45 | -2099.74813718 | 2.4288E-03 |
| 2.55 | -2099.74031232 | 2.4057E-03 |
| 2.65 | -2099.72866832 | 1.6894E-03 |
#+begin_src gnuplot :var data=cucl_ccsdt :results file :file cucl_ccsdt.png
reset
a0 = 1.8897161646321
E(r) = De * (1-exp(-a*(r-re)))**2 + E0
a = 1.
re = 3.9
De = 0.1
E0 = -2099.767
set xrange [2.7:5.2]
CuCl OK
2024-03-27 17:20:04 +01:00
fit E(x) data using ($1*a0):2:3 via a, re, De, E0
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
plot E(x), data using ($1*a0):2:3 w err
#+end_src
#+RESULTS:
[[file:cucl_ccsdt.png]]
#+begin_example
Speedup curve
2024-04-03 18:14:14 +02:00
a = 0.849036 +/- 0.02921 (3.44%)
re = 3.92202 +/- 0.009502 (0.2423%)
De = 0.101614 +/- 0.008801 (8.661%)
E0 = -2099.77 +/- 0.0007748 (3.69e-05%)
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
#+end_example
Speedup curve
2024-04-03 18:14:14 +02:00
#+CALL:freq(0.849036,0.101614)
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
#+RESULTS:
Speedup curve
2024-04-03 18:14:14 +02:00
: 414.99173933985907
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
** CCSD(T) exact
| 1.50 | -2099.533616067071 |
| 1.55 | -2099.590506349950 |
| 1.60 | -2099.635662051331 |
| 1.65 | -2099.671184187604 |
| 1.70 | -2099.698826802514 |
| 1.75 | -2099.720045862965 |
| 1.80 | -2099.736043284873 |
| 1.85 | -2099.747811193906 |
| 1.90 | -2099.756159621832 |
| 1.95 | -2099.761752030920 |
| 2.00 | -2099.765128141854 |
| 2.05 | -2099.766727898670 |
| 2.10 | -2099.766907494029 |
| 2.15 | -2099.765956694308 |
| 2.20 | -2099.764111168127 |
| 2.25 | -2099.761562105614 |
| 2.30 | -2099.758464229658 |
| 2.35 | -2099.754944906474 |
| 2.40 | -2099.751100967299 |
| 2.45 | -2099.747028328725 |
| 2.50 | -2099.742790106242 |
| 2.55 | -2099.738443175793 |
| 2.60 | -2099.734033236772 |
| 2.65 | -2099.729597826175 |
CuCl OK
2024-03-27 17:20:04 +01:00
#+name:cucl_ccsdt_ex
| 1.55 | -2099.590506349950 |
| 1.65 | -2099.671184187604 |
| 1.75 | -2099.720045862965 |
| 1.85 | -2099.747811193906 |
| 1.95 | -2099.761752030920 |
| 2.05 | -2099.766727898670 |
| 2.15 | -2099.765956694308 |
| 2.25 | -2099.761562105614 |
| 2.35 | -2099.754944906474 |
| 2.45 | -2099.747028328725 |
| 2.55 | -2099.738443175793 |
| 2.65 | -2099.729597826175 |
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
#+begin_src gnuplot :var data=cucl_ccsdt_ex :results file :file cucl_ccsdt_ex.png
reset
a0 = 1.8897161646321
E(r) = De * (1-exp(-a*(r-re)))**2 + E0
a = 1.
re = 3.9
De = 0.1
E0 = -2099.767
set xrange [2.7:5.2]
fit E(x) data using ($1*a0):2 via a, re, De, E0
plot E(x), data using ($1*a0):2
#+end_src
#+RESULTS:
[[file:cucl_ccsdt_ex.png]]
#+begin_example
CuCl OK
2024-03-27 17:20:04 +01:00
a = 0.840928 +/- 0.009924 (1.18%)
re = 3.92266 +/- 0.003278 (0.08358%)
De = 0.103446 +/- 0.002926 (2.829%)
E0 = -2099.77 +/- 0.0002473 (1.178e-05%)
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
#+end_example
CuCl OK
2024-03-27 17:20:04 +01:00
#+CALL:freq(0.840928,0.103446)
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
#+RESULTS:
CuCl OK
2024-03-27 17:20:04 +01:00
: 414.7173810736408
Add CuCl in triples.org
2024-03-27 15:30:00 +01:00
#+begin_src gnuplot :var data=cucl_ccsdt :var data2=cucl_ccsdt_ex :results file :file cucl_ccsdt2.png
reset
set grid
a0 = 1.8897161646321
E(r) = De * (1-exp(-a*(r-re)))**2 + E0
a = 1.
re = 3.9
De = 0.1
E0 = -2099.767
set xrange [2.7:5.5]
fit E(x) data using ($1*a0):2 via a, re, De, E0
set xrange [3.0:5.2]
plot data2 using ($1*a0-0.002):2 pointtype 2 lt 3 title "Full", data using ($1*a0+0.002):2:3 w err pt 0 lt 8 title "1%", E(x) title "" lt 5
#+end_src
#+RESULTS:
[[file:cucl_ccsdt2.png]]
Added org-mode file
2023-05-18 19:42:46 +02:00
Speedup curve
2024-04-03 18:14:14 +02:00
* Arithmetic intensity
No^3 x Nv / ( No^2 x Nv + No x Nv + No^3)
No^2 / ( No + 1 + No^2/Nv)
Added org-mode file
2023-05-18 19:42:46 +02:00
* Export :noexport:
#+BEGIN_SRC elisp :output none
(setq org-latex-listings 'minted
org-latex-packages-alist '(("" "minted"))
org-latex-minted-options
'(("frame" "lines")
("fontsize" "\\scriptsize"))
org-latex-to-pdf-process
'("pdflatex -interaction nonstopmode -shell-escape -output-directory %o %f"
"pdflatex -interaction nonstopmode -shell-escape -output-directory %o %f"))
(org-latex-export-to-pdf)
#+END_SRC
#+RESULTS:
: /home/scemama/TripleStoch/triples.pdf
#+BEGIN_SRC bash :results output
pdflatex -interaction nonstopmode -shell-escape triples.tex
#+END_SRC
#+RESULTS: