mirror of https://github.com/abinit/abinit.git
123 lines
14 KiB
Plaintext
123 lines
14 KiB
Plaintext
# Macroscopic dielectric function obtained with the BS equation.
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# RPA L0 with KS energies and KS wavefunctions LOCAL FIELD EFFECTS INCLUDED
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# RESONANT-ONLY calculation
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# Coulomb term constructed with full W(G1,G2)
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# Scissor operator energy = 0.8000 [eV]
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# Tolerance = 0.0200 0.0000
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# npweps = 51
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# npwwfn = 169
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# nbands = 8
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# loband = 2
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# nkibz = 2
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# nkbz = 32
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# Lorentzian broadening = 0.1000 [eV]
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# List of q-points for the optical limit:
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# q = 0.938821, 0.000000, 0.000000, [Reduced coords]
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# q = 0.000000, 0.938821, 0.000000, [Reduced coords]
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# q = 0.000000, 0.000000, 0.938821, [Reduced coords]
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# q = 0.000000, 0.813043, 0.813043, [Reduced coords]
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# q = 0.813043, 0.000000, 0.813043, [Reduced coords]
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# q = 0.813043, 0.813043, 0.000000, [Reduced coords]
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# omega [eV] RE(eps(q=1)) IM(eps(q=1) RE(eps(q=2) ) ...
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0.000 21.7024 0.0000 21.7065 0.0000 21.7052 0.0000 21.7022 0.0000 21.7045 0.0000 21.7068 0.0000
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0.100 21.7178 0.0309 21.7219 0.0309 21.7206 0.0309 21.7176 0.0309 21.7199 0.0309 21.7222 0.0309
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0.200 21.7642 0.0621 21.7683 0.0622 21.7669 0.0622 21.7640 0.0621 21.7662 0.0622 21.7686 0.0622
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0.300 21.8419 0.0940 21.8461 0.0940 21.8447 0.0940 21.8417 0.0940 21.8440 0.0940 21.8463 0.0940
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0.400 21.9518 0.1267 21.9560 0.1268 21.9546 0.1268 21.9516 0.1267 21.9539 0.1268 21.9563 0.1268
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0.500 22.0950 0.1608 22.0992 0.1608 22.0978 0.1608 22.0947 0.1608 22.0971 0.1608 22.0995 0.1609
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0.600 22.2728 0.1965 22.2772 0.1966 22.2757 0.1965 22.2726 0.1965 22.2750 0.1965 22.2774 0.1966
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0.700 22.4872 0.2342 22.4917 0.2344 22.4902 0.2343 22.4870 0.2342 22.4894 0.2343 22.4919 0.2344
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0.800 22.7404 0.2746 22.7450 0.2747 22.7435 0.2747 22.7402 0.2746 22.7427 0.2747 22.7453 0.2747
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0.900 23.0353 0.3181 23.0401 0.3182 23.0385 0.3182 23.0351 0.3181 23.0376 0.3182 23.0403 0.3182
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1.000 23.3753 0.3654 23.3802 0.3656 23.3786 0.3655 23.3750 0.3654 23.3777 0.3655 23.3805 0.3656
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1.100 23.7645 0.4173 23.7696 0.4175 23.7679 0.4174 23.7642 0.4173 23.7670 0.4174 23.7699 0.4175
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1.200 24.2079 0.4748 24.2133 0.4750 24.2115 0.4749 24.2077 0.4748 24.2106 0.4749 24.2136 0.4750
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1.300 24.7117 0.5390 24.7174 0.5393 24.7155 0.5392 24.7115 0.5390 24.7145 0.5391 24.7177 0.5393
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1.400 25.2831 0.6115 25.2891 0.6118 25.2871 0.6117 25.2829 0.6115 25.2861 0.6116 25.2894 0.6118
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1.500 25.9312 0.6941 25.9376 0.6945 25.9355 0.6943 25.9310 0.6941 25.9344 0.6943 25.9379 0.6945
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1.600 26.6670 0.7892 26.6738 0.7896 26.6716 0.7895 26.6668 0.7892 26.6704 0.7894 26.6741 0.7896
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1.700 27.5043 0.8999 27.5116 0.9004 27.5091 0.9002 27.5040 0.8999 27.5079 0.9002 27.5118 0.9004
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1.800 28.4601 1.0303 28.4680 1.0310 28.4653 1.0308 28.4598 1.0303 28.4640 1.0307 28.4682 1.0310
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1.900 29.5563 1.1861 29.5648 1.1868 29.5620 1.1866 29.5560 1.1861 29.5605 1.1864 29.5651 1.1868
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2.000 30.8209 1.3747 30.8302 1.3756 30.8271 1.3753 30.8206 1.3747 30.8255 1.3751 30.8305 1.3756
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2.100 32.2906 1.6070 32.3009 1.6080 32.2975 1.6077 32.2904 1.6070 32.2957 1.6075 32.3012 1.6080
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2.200 34.0143 1.8984 34.0257 1.8997 34.0219 1.8993 34.0140 1.8984 34.0200 1.8991 34.0260 1.8997
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2.300 36.0586 2.2722 36.0714 2.2738 36.0672 2.2733 36.0584 2.2722 36.0650 2.2730 36.0717 2.2738
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2.400 38.5169 2.7642 38.5314 2.7661 38.5266 2.7654 38.5167 2.7642 38.5241 2.7651 38.5317 2.7661
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2.500 41.5238 3.4321 41.5405 3.4345 41.5349 3.4337 41.5236 3.4321 41.5321 3.4333 41.5407 3.4345
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2.600 45.2808 4.3744 45.3002 4.3776 45.2937 4.3765 45.2806 4.3744 45.2904 4.3760 45.3004 4.3776
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2.700 50.1026 5.7695 50.1255 5.7739 50.1179 5.7724 50.1024 5.7695 50.1140 5.7717 50.1258 5.7739
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2.800 56.5061 7.9688 56.5339 7.9751 56.5246 7.9730 56.5059 7.9688 56.5199 7.9720 56.5342 7.9751
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2.900 65.3884 11.7399 65.4232 11.7496 65.4116 11.7464 65.3882 11.7399 65.4057 11.7448 65.4235 11.7496
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3.000 78.3779 19.0108 78.4233 19.0275 78.4081 19.0219 78.3777 19.0108 78.4005 19.0192 78.4235 19.0274
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3.100 98.2340 35.6053 98.2956 35.6395 98.2749 35.6279 98.2338 35.6052 98.2647 35.6225 98.2958 35.6394
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3.200 124.0948 82.8818 124.1692 82.9708 124.1443 82.9405 124.0944 82.8814 124.1318 82.9267 124.1697 82.9703
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3.300 74.4135 199.9606 74.3596 200.1215 74.3790 200.0671 74.4132 199.9588 74.3849 200.0412 74.3628 200.1225
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3.400 -78.0478 139.5452 -78.1051 139.5504 -78.0858 139.5498 -78.0451 139.5435 -78.0765 139.5463 -78.1077 139.5549
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3.500 -66.7087 55.0684 -66.7177 55.0790 -66.7149 55.0758 -66.7051 55.0683 -66.7127 55.0731 -66.7221 55.0799
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3.600 -40.9882 27.7904 -40.9798 27.8071 -40.9828 27.8017 -40.9839 27.7914 -40.9836 27.7985 -40.9847 27.8065
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3.700 -22.5065 17.9085 -22.4796 17.9322 -22.4887 17.9244 -22.5009 17.9105 -22.4928 17.9202 -22.4856 17.9303
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3.800 -8.2573 14.3150 -8.2042 14.3532 -8.2220 14.3405 -8.2493 14.3189 -8.2306 14.3340 -8.2127 14.3493
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3.900 4.6028 14.2450 4.6974 14.3158 4.6658 14.2921 4.6152 14.2530 4.6501 14.2802 4.6846 14.3078
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4.000 18.4659 18.0503 18.6311 18.2060 18.5759 18.1539 18.4863 18.0688 18.5485 18.1278 18.6104 18.1873
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4.100 35.8153 30.2293 36.0773 30.6548 35.9899 30.5123 35.8466 30.2815 35.9463 30.4410 36.0457 30.6019
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4.200 52.4413 69.1609 52.3272 70.5088 52.3674 70.0582 52.4226 69.3292 52.3876 69.8323 52.3479 70.3389
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4.300 -10.5093 134.9552 -13.3688 134.7000 -12.4216 134.7912 -10.8862 134.9101 -11.9435 134.8394 -12.9978 134.7517
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4.400 -74.1407 68.8319 -74.0086 67.3229 -74.0434 67.8229 -74.1121 68.6193 -74.0731 68.0695 -74.0290 67.5329
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4.500 -58.3727 29.2038 -57.9443 28.7480 -58.0935 28.9110 -58.3017 29.1362 -58.1480 28.9792 -58.0233 28.8202
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4.600 -42.4017 16.4285 -42.1463 16.2557 -42.2394 16.3098 -42.3494 16.4083 -42.2871 16.3595 -42.1927 16.2740
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4.700 -30.5874 12.2393 -30.4252 12.1213 -30.4857 12.1494 -30.5598 12.2514 -30.5340 12.1647 -30.4556 12.1325
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4.800 -20.8206 13.0713 -20.6232 12.8893 -20.6686 12.9107 -20.9300 13.0086 -20.7054 12.8962 -20.6483 12.9009
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4.900 -14.7620 21.4093 -14.1184 21.9503 -14.1873 21.9645 -14.0529 21.3441 -14.1327 21.9308 -14.1689 21.9577
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5.000 -27.0100 31.8040 -27.8121 30.4598 -27.7584 30.4317 -28.2225 31.7435 -27.9575 30.5073 -27.7544 30.4404
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5.100 -36.0840 16.3392 -35.6057 16.7426 -35.6462 16.7474 -35.4333 16.2092 -35.5969 16.7319 -35.6426 16.7387
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5.200 -30.4777 7.8988 -30.5632 8.0418 -30.5790 8.0388 -30.5290 8.1324 -30.5841 8.0492 -30.5728 8.0346
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5.300 -25.5228 4.9621 -25.5871 4.9116 -25.6002 4.9114 -25.6274 4.9416 -25.6086 4.9145 -25.5957 4.9091
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5.400 -21.8701 3.6476 -21.8183 3.5881 -21.8307 3.5882 -21.8561 3.5977 -21.8384 3.5891 -21.8279 3.5865
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5.500 -18.8382 3.0497 -18.7726 3.0356 -18.7849 3.0352 -18.8070 3.0379 -18.7924 3.0351 -18.7836 3.0336
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5.600 -16.1324 3.1068 -16.0668 3.1160 -16.0796 3.1142 -16.1005 3.1117 -16.0873 3.1129 -16.0798 3.1123
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5.700 -13.7372 4.4433 -13.6746 4.4903 -13.6887 4.4849 -13.7066 4.4710 -13.6966 4.4803 -13.6909 4.4817
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5.800 -14.8468 7.4715 -14.8652 7.5408 -14.8750 7.5258 -14.8628 7.5125 -14.8765 7.5171 -14.8776 7.5161
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5.900 -17.1629 4.5139 -17.1772 4.5209 -17.1742 4.5110 -17.1761 4.5186 -17.1725 4.5078 -17.1677 4.5032
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6.000 -15.5308 2.3467 -15.5335 2.3503 -15.5309 2.3468 -15.5367 2.3493 -15.5301 2.3455 -15.5250 2.3437
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6.100 -13.9316 1.5650 -13.9311 1.5673 -13.9300 1.5658 -13.9352 1.5668 -13.9297 1.5653 -13.9254 1.5643
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6.200 -12.6546 1.2057 -12.6524 1.2072 -12.6521 1.2065 -12.6568 1.2070 -12.6522 1.2062 -12.6486 1.2056
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6.300 -11.5956 1.0071 -11.5922 1.0085 -11.5923 1.0082 -11.5967 1.0083 -11.5926 1.0079 -11.5895 1.0075
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6.400 -10.6777 0.8951 -10.6732 0.8973 -10.6735 0.8971 -10.6779 0.8966 -10.6740 0.8969 -10.6712 0.8966
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6.500 -9.8539 0.8692 -9.8487 0.8747 -9.8492 0.8748 -9.8534 0.8724 -9.8498 0.8743 -9.8474 0.8743
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6.600 -9.1837 1.0137 -9.1893 1.0265 -9.1901 1.0269 -9.1881 1.0209 -9.1897 1.0257 -9.1886 1.0262
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6.700 -8.9366 0.9846 -8.9439 0.9724 -8.9448 0.9721 -8.9424 0.9794 -8.9443 0.9733 -8.9431 0.9714
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6.800 -8.4138 0.6988 -8.4086 0.6931 -8.4091 0.6929 -8.4131 0.6963 -8.4098 0.6935 -8.4076 0.6926
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6.900 -7.8338 0.5777 -7.8288 0.5759 -7.8293 0.5759 -7.8329 0.5771 -7.8299 0.5761 -7.8280 0.5756
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7.000 -7.3023 0.5206 -7.2980 0.5200 -7.2984 0.5200 -7.3015 0.5205 -7.2990 0.5201 -7.2973 0.5199
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7.100 -6.8068 0.4934 -6.8027 0.4935 -6.8031 0.4937 -6.8060 0.4936 -6.8036 0.4937 -6.8021 0.4935
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7.200 -6.3299 0.4966 -6.3256 0.4978 -6.3258 0.4981 -6.3288 0.4973 -6.3263 0.4980 -6.3250 0.4980
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7.300 -5.8584 0.5659 -5.8543 0.5706 -5.8543 0.5713 -5.8572 0.5681 -5.8548 0.5709 -5.8536 0.5715
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7.400 -5.4938 0.8238 -5.5022 0.8350 -5.5031 0.8367 -5.4977 0.8290 -5.5023 0.8358 -5.5030 0.8371
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7.500 -5.5913 0.8504 -5.5983 0.8323 -5.6000 0.8322 -5.5950 0.8429 -5.5996 0.8342 -5.6001 0.8317
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7.600 -5.2897 0.5451 -5.2814 0.5371 -5.2823 0.5370 -5.2865 0.5418 -5.2833 0.5379 -5.2821 0.5367
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7.700 -4.8682 0.4398 -4.8607 0.4373 -4.8614 0.4373 -4.8652 0.4389 -4.8624 0.4376 -4.8614 0.4372
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7.800 -4.4642 0.4118 -4.4575 0.4113 -4.4581 0.4114 -4.4613 0.4118 -4.4589 0.4114 -4.4582 0.4112
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7.900 -4.0633 0.4228 -4.0564 0.4238 -4.0570 0.4239 -4.0602 0.4234 -4.0578 0.4239 -4.0573 0.4238
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8.000 -3.6411 0.4810 -3.6332 0.4849 -3.6337 0.4851 -3.6374 0.4828 -3.6346 0.4847 -3.6341 0.4850
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8.100 -3.1737 0.6519 -3.1654 0.6651 -3.1658 0.6656 -3.1695 0.6575 -3.1668 0.6642 -3.1665 0.6658
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8.200 -2.7952 1.1714 -2.8172 1.2073 -2.8184 1.2082 -2.8021 1.1864 -2.8159 1.2045 -2.8207 1.2090
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8.300 -3.3294 1.4883 -3.3670 1.4297 -3.3683 1.4282 -3.3444 1.4667 -3.3648 1.4345 -3.3707 1.4248
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8.400 -3.1607 0.8994 -3.1299 0.8699 -3.1294 0.8694 -3.1475 0.8883 -3.1327 0.8723 -3.1294 0.8675
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8.500 -2.5383 0.7697 -2.5053 0.7673 -2.5045 0.7675 -2.5234 0.7696 -2.5080 0.7678 -2.5051 0.7665
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8.600 -1.8290 0.9452 -1.7943 0.9652 -1.7933 0.9664 -1.8125 0.9546 -1.7969 0.9643 -1.7948 0.9654
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8.700 -1.0284 1.6018 -1.0151 1.6800 -1.0148 1.6837 -1.0187 1.6363 -1.0159 1.6757 -1.0179 1.6826
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8.800 -1.1178 3.1032 -1.3087 3.0999 -1.3160 3.1004 -1.1947 3.1139 -1.2974 3.1028 -1.3219 3.0933
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8.900 -1.7197 2.8705 -1.6469 2.7299 -1.6446 2.7268 -1.6925 2.8151 -1.6521 2.7397 -1.6416 2.7189
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9.000 -0.5727 3.9564 -0.4577 3.9830 -0.4549 3.9879 -0.5254 3.9739 -0.4657 3.9859 -0.4515 3.9823
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9.100 -2.9726 7.5843 -3.0096 7.6728 -3.0209 7.6763 -2.9997 7.6270 -3.0194 7.6683 -3.0122 7.6730
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9.200 -6.9984 4.3555 -7.0162 4.3427 -7.0175 4.3366 -7.0099 4.3465 -7.0159 4.3366 -7.0141 4.3385
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9.300 -6.1066 1.8602 -6.1066 1.8565 -6.1056 1.8545 -6.1082 1.8577 -6.1053 1.8545 -6.1038 1.8549
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9.400 -5.0901 1.0365 -5.0890 1.0359 -5.0884 1.0351 -5.0911 1.0361 -5.0884 1.0350 -5.0868 1.0351
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9.500 -4.3423 0.7173 -4.3410 0.7173 -4.3407 0.7170 -4.3431 0.7173 -4.3408 0.7169 -4.3393 0.7169
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9.600 -3.7472 0.5910 -3.7457 0.5913 -3.7456 0.5911 -3.7479 0.5912 -3.7458 0.5910 -3.7443 0.5909
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9.700 -3.2117 0.5818 -3.2098 0.5825 -3.2099 0.5823 -3.2122 0.5822 -3.2101 0.5822 -3.2087 0.5822
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9.800 -2.6624 0.7237 -2.6599 0.7251 -2.6602 0.7250 -2.6625 0.7244 -2.6604 0.7249 -2.6591 0.7248
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9.900 -2.1005 1.2599 -2.0981 1.2641 -2.0986 1.2640 -2.1006 1.2619 -2.0988 1.2636 -2.0976 1.2637
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10.000 -2.5469 2.4842 -2.5527 2.4889 -2.5536 2.4881 -2.5508 2.4865 -2.5532 2.4875 -2.5524 2.4875
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