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 22.2822 0.0000 22.2859 0.0000 22.2847 0.0000 22.2825 0.0000 22.2840 0.0000 22.2857 0.0000
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0.100 22.2991 0.0339 22.3028 0.0339 22.3016 0.0339 22.2993 0.0339 22.3009 0.0339 22.3025 0.0339
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0.200 22.3498 0.0681 22.3536 0.0681 22.3523 0.0681 22.3501 0.0681 22.3517 0.0681 22.3533 0.0681
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0.300 22.4350 0.1030 22.4388 0.1031 22.4375 0.1031 22.4353 0.1030 22.4369 0.1031 22.4385 0.1031
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0.400 22.5555 0.1391 22.5594 0.1391 22.5581 0.1391 22.5558 0.1391 22.5574 0.1391 22.5591 0.1391
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0.500 22.7126 0.1766 22.7165 0.1767 22.7152 0.1766 22.7129 0.1766 22.7145 0.1766 22.7163 0.1767
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0.600 22.9080 0.2161 22.9121 0.2162 22.9107 0.2162 22.9084 0.2161 22.9100 0.2161 22.9118 0.2162
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0.700 23.1440 0.2581 23.1481 0.2582 23.1467 0.2582 23.1443 0.2581 23.1460 0.2581 23.1478 0.2582
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0.800 23.4232 0.3031 23.4274 0.3033 23.4260 0.3032 23.4235 0.3032 23.4253 0.3032 23.4271 0.3033
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0.900 23.7490 0.3520 23.7534 0.3521 23.7519 0.3521 23.7493 0.3520 23.7511 0.3520 23.7530 0.3521
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1.000 24.1255 0.4054 24.1301 0.4056 24.1286 0.4055 24.1259 0.4054 24.1278 0.4055 24.1297 0.4056
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1.100 24.5578 0.4644 24.5626 0.4646 24.5610 0.4646 24.5583 0.4644 24.5602 0.4645 24.5622 0.4646
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1.200 25.0520 0.5303 25.0571 0.5305 25.0554 0.5305 25.0525 0.5303 25.0545 0.5304 25.0567 0.5305
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1.300 25.6156 0.6045 25.6209 0.6048 25.6191 0.6047 25.6161 0.6046 25.6182 0.6047 25.6204 0.6048
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1.400 26.2576 0.6891 26.2632 0.6894 26.2613 0.6893 26.2581 0.6891 26.2604 0.6893 26.2627 0.6894
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1.500 26.9894 0.7865 26.9954 0.7869 26.9934 0.7867 26.9900 0.7865 26.9924 0.7867 26.9949 0.7868
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1.600 27.8251 0.8999 27.8315 0.9004 27.8293 0.9002 27.8257 0.9000 27.8282 0.9001 27.8309 0.9003
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1.700 28.7823 1.0337 28.7891 1.0342 28.7868 1.0341 28.7829 1.0338 28.7857 1.0340 28.7885 1.0342
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1.800 29.8835 1.1937 29.8910 1.1944 29.8885 1.1942 29.8843 1.1938 29.8872 1.1941 29.8902 1.1943
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1.900 31.1580 1.3881 31.1661 1.3888 31.1633 1.3885 31.1588 1.3882 31.1620 1.3884 31.1652 1.3887
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2.000 32.6438 1.6281 32.6527 1.6290 32.6497 1.6287 32.6448 1.6282 32.6482 1.6285 32.6518 1.6289
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2.100 34.3924 1.9305 34.4023 1.9316 34.3990 1.9312 34.3935 1.9307 34.3973 1.9310 34.4012 1.9314
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2.200 36.4741 2.3204 36.4852 2.3217 36.4815 2.3212 36.4754 2.3206 36.4796 2.3210 36.4839 2.3215
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2.300 38.9882 2.8368 39.0006 2.8384 38.9965 2.8379 38.9897 2.8370 38.9944 2.8376 38.9992 2.8381
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2.400 42.0791 3.5438 42.0933 3.5458 42.0885 3.5451 42.0808 3.5441 42.0861 3.5448 42.0915 3.5455
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2.500 45.9650 4.5518 45.9815 4.5546 45.9760 4.5536 45.9672 4.5523 45.9732 4.5532 45.9794 4.5541
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2.600 50.9914 6.0655 51.0109 6.0692 51.0043 6.0679 50.9941 6.0662 51.0011 6.0673 51.0082 6.0685
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2.700 57.7331 8.4971 57.7567 8.5024 57.7487 8.5006 57.7365 8.4982 57.7448 8.4998 57.7532 8.5013
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2.800 67.2020 12.7778 67.2316 12.7861 67.2216 12.7832 67.2067 12.7796 67.2167 12.7819 67.2268 12.7841
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2.900 81.2398 21.3502 81.2783 21.3648 81.2652 21.3597 81.2464 21.3538 81.2589 21.3575 81.2715 21.3610
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3.000 102.6616 42.0119 102.7134 42.0429 102.6957 42.0321 102.6711 42.0206 102.6873 42.0273 102.7036 42.0336
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3.100 124.3239 103.7097 124.3774 103.7924 124.3595 103.7633 124.3302 103.7353 124.3503 103.7510 124.3714 103.7651
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3.200 23.2958 206.9262 23.2343 207.0142 23.2578 206.9848 23.2575 206.9388 23.2645 206.9696 23.2767 207.0023
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3.300 -78.3069 104.7489 -78.3299 104.7583 -78.3222 104.7566 -78.3123 104.7360 -78.3181 104.7530 -78.3249 104.7736
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3.400 -55.8496 43.4393 -55.8487 43.4520 -55.8493 43.4482 -55.8485 43.4362 -55.8488 43.4455 -55.8505 43.4559
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3.500 -32.7783 23.5462 -32.7628 23.5625 -32.7681 23.5572 -32.7767 23.5462 -32.7703 23.5542 -32.7649 23.5628
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3.600 -16.1724 16.1379 -16.1394 16.1610 -16.1505 16.1534 -16.1698 16.1395 -16.1558 16.1494 -16.1424 16.1596
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3.700 -2.8252 13.6964 -2.7668 13.7344 -2.7864 13.7218 -2.8205 13.6999 -2.7959 13.7153 -2.7718 13.7309
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3.800 9.8329 14.4994 9.9324 14.5717 9.8992 14.5476 9.8416 14.5069 9.8827 14.5355 9.9235 14.5643
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3.900 24.1502 19.5853 24.3192 19.7495 24.2628 19.6946 24.1659 19.6032 24.2346 19.6671 24.3032 19.7314
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4.000 42.4727 35.0856 42.7210 35.5522 42.6384 35.3961 42.4961 35.1384 42.5969 35.3179 42.6975 35.4987
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4.100 54.6337 84.3871 54.2361 85.7846 54.3717 85.3183 54.5770 84.5482 54.4389 85.0845 54.2956 85.6228
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4.200 -33.1148 133.2028 -35.3097 132.1567 -34.5858 132.5082 -33.3869 133.0550 -34.2200 132.6851 -35.0446 132.3064
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4.300 -72.5535 58.7182 -72.2938 57.6550 -72.3757 58.0057 -72.5095 58.5749 -72.4214 58.1823 -72.3319 57.7956
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4.400 -54.4252 26.2490 -54.0792 25.9174 -54.1887 26.0348 -54.3718 26.2029 -54.2473 26.0846 -54.1290 25.9746
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4.500 -38.9767 15.6953 -38.7614 15.6021 -38.8497 15.6478 -38.9384 15.6799 -38.8645 15.6608 -38.8272 15.6135
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4.600 -27.2481 12.6591 -27.1948 12.5795 -27.2302 12.5812 -27.2240 12.6640 -27.2698 12.6346 -27.1887 12.5594
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4.700 -17.2373 15.2656 -17.0986 14.9714 -17.1113 15.0050 -17.3024 15.2677 -17.1800 14.9782 -17.0773 15.0214
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4.800 -13.5601 27.4999 -12.7216 28.2349 -12.8320 28.2850 -13.1143 27.2855 -12.7268 28.1972 -12.8986 28.3152
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4.900 -32.9620 32.6532 -33.7646 31.4545 -33.6267 31.3643 -33.4256 32.7647 -33.8502 31.5242 -33.4703 31.3166
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5.000 -36.6246 14.7925 -36.1467 14.9995 -36.2183 15.0305 -36.5640 14.6288 -36.1488 14.9802 -36.2624 15.0338
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5.100 -30.3558 7.4892 -30.3524 7.6118 -30.3689 7.6027 -30.2433 7.4825 -30.3697 7.6177 -30.3634 7.5893
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5.200 -25.3585 4.7987 -25.3759 4.8279 -25.3861 4.8261 -25.3110 4.8978 -25.3939 4.8304 -25.3789 4.8215
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5.300 -21.5729 3.6301 -21.5885 3.6280 -21.5982 3.6276 -21.6344 3.6807 -21.6054 3.6289 -21.5926 3.6256
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5.400 -18.4563 3.2257 -18.4744 3.1904 -18.4840 3.1899 -18.5270 3.2021 -18.4909 3.1898 -18.4797 3.1888
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5.500 -15.7030 3.6760 -15.6663 3.5522 -15.6765 3.5507 -15.7172 3.5405 -15.6835 3.5489 -15.6731 3.5504
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5.600 -13.9901 5.6850 -13.6850 5.7983 -13.6963 5.7935 -13.7159 5.7467 -13.7020 5.7874 -13.6952 5.7946
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5.700 -16.6847 7.1686 -16.8957 7.2645 -16.9001 7.2524 -16.8647 7.2544 -16.8985 7.2478 -16.9008 7.2479
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5.800 -17.0636 3.6370 -17.0788 3.5921 -17.0769 3.5868 -17.0798 3.5976 -17.0762 3.5856 -17.0734 3.5840
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5.900 -15.2470 2.0759 -15.2382 2.0645 -15.2371 2.0625 -15.2428 2.0656 -15.2371 2.0620 -15.2341 2.0614
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6.000 -13.7107 1.4707 -13.7021 1.4679 -13.7018 1.4670 -13.7069 1.4681 -13.7021 1.4668 -13.6994 1.4664
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6.100 -12.4717 1.1715 -12.4634 1.1712 -12.4636 1.1708 -12.4682 1.1711 -12.4640 1.1707 -12.4616 1.1704
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6.200 -11.4263 1.0032 -11.4176 1.0048 -11.4180 1.0046 -11.4226 1.0042 -11.4185 1.0045 -11.4163 1.0043
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6.300 -10.5047 0.9223 -10.4947 0.9274 -10.4952 0.9274 -10.5000 0.9257 -10.4958 0.9272 -10.4938 0.9273
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6.400 -9.6747 0.9683 -9.6666 0.9848 -9.6673 0.9852 -9.6709 0.9790 -9.6678 0.9845 -9.6662 0.9854
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6.500 -9.1714 1.2228 -9.2016 1.2367 -9.2032 1.2370 -9.1915 1.2330 -9.2022 1.2366 -9.2034 1.2366
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6.600 -8.9599 0.9565 -8.9607 0.9354 -8.9614 0.9348 -8.9626 0.9439 -8.9617 0.9357 -8.9602 0.9336
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6.700 -8.3567 0.6879 -8.3486 0.6810 -8.3490 0.6808 -8.3534 0.6838 -8.3497 0.6811 -8.3477 0.6804
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6.800 -7.7673 0.5795 -7.7603 0.5773 -7.7607 0.5773 -7.7645 0.5783 -7.7612 0.5774 -7.7596 0.5771
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6.900 -7.2304 0.5268 -7.2242 0.5263 -7.2246 0.5264 -7.2279 0.5267 -7.2251 0.5265 -7.2236 0.5263
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7.000 -6.7279 0.5052 -6.7217 0.5063 -6.7219 0.5064 -6.7253 0.5059 -6.7224 0.5064 -6.7210 0.5065
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7.100 -6.2411 0.5238 -6.2343 0.5280 -6.2343 0.5284 -6.2380 0.5263 -6.2348 0.5283 -6.2334 0.5287
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7.200 -5.7728 0.6476 -5.7696 0.6622 -5.7697 0.6633 -5.7714 0.6559 -5.7698 0.6627 -5.7690 0.6644
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7.300 -5.6033 0.9327 -5.6356 0.9341 -5.6372 0.9353 -5.6218 0.9345 -5.6356 0.9358 -5.6390 0.9358
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7.400 -5.5736 0.6804 -5.5692 0.6584 -5.5703 0.6584 -5.5721 0.6683 -5.5710 0.6598 -5.5703 0.6574
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7.500 -5.1666 0.4832 -5.1563 0.4761 -5.1571 0.4762 -5.1614 0.4794 -5.1580 0.4767 -5.1568 0.4759
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7.600 -4.7509 0.4216 -4.7421 0.4194 -4.7428 0.4195 -4.7464 0.4205 -4.7436 0.4196 -4.7427 0.4193
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7.700 -4.3512 0.4090 -4.3431 0.4089 -4.3437 0.4090 -4.3470 0.4091 -4.3444 0.4090 -4.3437 0.4089
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7.800 -3.9480 0.4299 -3.9394 0.4321 -3.9398 0.4322 -3.9433 0.4312 -3.9406 0.4321 -3.9399 0.4322
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7.900 -3.5171 0.5028 -3.5068 0.5099 -3.5071 0.5101 -3.5113 0.5067 -3.5080 0.5096 -3.5072 0.5104
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8.000 -3.0408 0.7145 -3.0321 0.7389 -3.0324 0.7394 -3.0354 0.7275 -3.0330 0.7377 -3.0328 0.7406
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8.100 -2.7703 1.3206 -2.8312 1.3637 -2.8326 1.3646 -2.8000 1.3451 -2.8280 1.3620 -2.8373 1.3662
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8.200 -3.3259 1.3414 -3.3404 1.2510 -3.3410 1.2500 -3.3349 1.2944 -3.3407 1.2563 -3.3424 1.2444
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8.300 -2.9549 0.8504 -2.9076 0.8204 -2.9073 0.8202 -2.9290 0.8348 -2.9109 0.8222 -2.9062 0.8180
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8.400 -2.2972 0.8113 -2.2486 0.8156 -2.2481 0.8159 -2.2698 0.8145 -2.2517 0.8155 -2.2476 0.8149
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8.500 -1.5374 1.0953 -1.4868 1.1409 -1.4861 1.1419 -1.5078 1.1214 -1.4897 1.1383 -1.4863 1.1416
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8.600 -0.7585 2.0479 -0.7917 2.2001 -0.7921 2.2032 -0.7708 2.1350 -0.7881 2.1917 -0.7949 2.2035
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8.700 -1.5095 3.4716 -1.7464 3.2827 -1.7495 3.2818 -1.6512 3.3799 -1.7345 3.2990 -1.7530 3.2728
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8.800 -1.5612 3.0152 -1.3948 2.8877 -1.3937 2.8882 -1.4701 2.9438 -1.4067 2.8969 -1.3890 2.8826
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8.900 -0.7338 5.0346 -0.6040 5.1556 -0.6055 5.1609 -0.6638 5.1100 -0.6155 5.1523 -0.6001 5.1579
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9.000 -5.2108 6.9822 -5.3114 7.0172 -5.3190 7.0133 -5.2796 6.9979 -5.3129 7.0100 -5.3136 7.0162
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9.100 -6.6993 3.0662 -6.7068 3.0462 -6.7066 3.0429 -6.7043 3.0506 -6.7059 3.0436 -6.7058 3.0446
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9.200 -5.5998 1.4428 -5.5969 1.4378 -5.5964 1.4367 -5.5983 1.4387 -5.5966 1.4368 -5.5959 1.4371
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9.300 -4.6992 0.8819 -4.6963 0.8806 -4.6962 0.8802 -4.6980 0.8808 -4.6964 0.8802 -4.6957 0.8803
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9.400 -4.0204 0.6576 -4.0176 0.6574 -4.0178 0.6572 -4.0194 0.6574 -4.0180 0.6571 -4.0173 0.6571
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9.500 -3.4515 0.5826 -3.4485 0.5831 -3.4488 0.5829 -3.4504 0.5829 -3.4492 0.5828 -3.4484 0.5827
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9.600 -2.9084 0.6259 -2.9049 0.6272 -2.9053 0.6270 -2.9070 0.6268 -2.9058 0.6268 -2.9051 0.6267
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9.700 -2.3229 0.8769 -2.3186 0.8803 -2.3193 0.8799 -2.3210 0.8792 -2.3198 0.8795 -2.3192 0.8792
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9.800 -1.8455 1.7388 -1.8440 1.7488 -1.8447 1.7478 -1.8454 1.7455 -1.8450 1.7466 -1.8445 1.7460
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9.900 -3.0889 2.6612 -3.1003 2.6607 -3.0998 2.6592 -3.0975 2.6612 -3.0986 2.6590 -3.0973 2.6579
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10.000 -3.4810 1.4879 -3.4807 1.4845 -3.4798 1.4840 -3.4822 1.4857 -3.4796 1.4842 -3.4778 1.4840
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