mirror of https://github.com/abinit/abinit.git
121 lines
15 KiB
Plaintext
121 lines
15 KiB
Plaintext
# GW Macroscopic dielectric function without local field effects
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# Scissor operator energy = 0.8000 [eV]
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# nstates included in the diagonalization = 768
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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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# loband(spin=2) = 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) ) ... DOS IDOS
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0.000 20.5194 0.0000 20.5194 0.0000 20.5194 0.0000 20.5194 0.0000 20.5194 0.0000 20.5194 0.0000 0.0000 0.0000
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0.100 20.5304 0.0220 20.5304 0.0220 20.5304 0.0220 20.5304 0.0220 20.5304 0.0220 20.5304 0.0220 0.0000 0.0000
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0.200 20.5634 0.0442 20.5634 0.0442 20.5634 0.0442 20.5634 0.0442 20.5634 0.0442 20.5634 0.0442 0.0000 0.0000
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0.300 20.6186 0.0666 20.6186 0.0666 20.6186 0.0666 20.6186 0.0666 20.6186 0.0666 20.6186 0.0666 0.0000 0.0000
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0.400 20.6965 0.0896 20.6965 0.0896 20.6965 0.0896 20.6965 0.0896 20.6965 0.0896 20.6965 0.0896 0.0000 0.0000
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0.500 20.7976 0.1133 20.7976 0.1133 20.7976 0.1133 20.7976 0.1133 20.7976 0.1133 20.7976 0.1133 0.0000 0.0000
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0.600 20.9228 0.1378 20.9228 0.1378 20.9228 0.1378 20.9228 0.1378 20.9228 0.1378 20.9228 0.1378 0.0000 0.0000
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0.700 21.0729 0.1635 21.0729 0.1635 21.0729 0.1635 21.0729 0.1635 21.0729 0.1635 21.0729 0.1635 0.0000 0.0000
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0.800 21.2493 0.1904 21.2493 0.1904 21.2493 0.1904 21.2493 0.1904 21.2493 0.1904 21.2493 0.1904 0.0000 0.0000
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0.900 21.4533 0.2190 21.4533 0.2190 21.4533 0.2190 21.4533 0.2190 21.4533 0.2190 21.4533 0.2190 0.0000 0.0000
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1.000 21.6866 0.2494 21.6866 0.2494 21.6866 0.2494 21.6866 0.2494 21.6866 0.2494 21.6866 0.2494 0.0000 0.0000
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1.100 21.9514 0.2822 21.9514 0.2822 21.9514 0.2822 21.9514 0.2822 21.9514 0.2822 21.9514 0.2822 0.0000 0.0000
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1.200 22.2500 0.3175 22.2500 0.3175 22.2500 0.3175 22.2500 0.3175 22.2500 0.3175 22.2500 0.3175 0.0000 0.0000
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1.300 22.5854 0.3561 22.5854 0.3561 22.5854 0.3561 22.5854 0.3561 22.5854 0.3561 22.5854 0.3561 0.0000 0.0000
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1.400 22.9609 0.3984 22.9609 0.3984 22.9609 0.3984 22.9609 0.3984 22.9609 0.3984 22.9609 0.3984 0.0000 0.0000
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1.500 23.3806 0.4451 23.3806 0.4451 23.3806 0.4451 23.3806 0.4451 23.3806 0.4451 23.3806 0.4451 0.0000 0.0000
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1.600 23.8493 0.4971 23.8493 0.4971 23.8493 0.4971 23.8493 0.4971 23.8493 0.4971 23.8493 0.4971 0.0000 0.0000
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1.700 24.3727 0.5555 24.3727 0.5555 24.3727 0.5555 24.3727 0.5555 24.3727 0.5555 24.3727 0.5555 0.0000 0.0000
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1.800 24.9578 0.6217 24.9578 0.6217 24.9578 0.6217 24.9578 0.6217 24.9578 0.6217 24.9578 0.6217 0.0000 0.0000
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1.900 25.6129 0.6972 25.6129 0.6972 25.6129 0.6972 25.6129 0.6972 25.6129 0.6972 25.6129 0.6972 0.0000 0.0000
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2.000 26.3482 0.7843 26.3482 0.7843 26.3482 0.7843 26.3482 0.7843 26.3482 0.7843 26.3482 0.7843 0.0000 0.0000
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2.100 27.1765 0.8858 27.1765 0.8858 27.1765 0.8858 27.1765 0.8858 27.1765 0.8858 27.1765 0.8858 0.0000 0.0000
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2.200 28.1136 1.0055 28.1136 1.0055 28.1136 1.0055 28.1136 1.0055 28.1136 1.0055 28.1136 1.0055 0.0000 0.0000
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2.300 29.1795 1.1485 29.1795 1.1485 29.1795 1.1485 29.1796 1.1485 29.1795 1.1485 29.1796 1.1485 0.0000 0.0000
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2.400 30.4002 1.3220 30.4002 1.3220 30.4002 1.3220 30.4002 1.3220 30.4002 1.3220 30.4002 1.3220 0.0000 0.0000
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2.500 31.8095 1.5361 31.8095 1.5361 31.8095 1.5361 31.8095 1.5361 31.8095 1.5361 31.8095 1.5361 0.0000 0.0000
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2.600 33.4531 1.8056 33.4531 1.8056 33.4531 1.8056 33.4531 1.8056 33.4531 1.8056 33.4531 1.8056 0.0000 0.0000
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2.700 35.3933 2.1532 35.3933 2.1532 35.3933 2.1532 35.3933 2.1532 35.3933 2.1532 35.3933 2.1532 0.0000 0.0000
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2.800 37.7189 2.6148 37.7189 2.6148 37.7189 2.6148 37.7189 2.6148 37.7189 2.6148 37.7189 2.6148 0.0000 0.0000
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2.900 40.5599 3.2499 40.5599 3.2499 40.5599 3.2499 40.5599 3.2499 40.5599 3.2499 40.5599 3.2499 0.0000 0.0000
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3.000 44.1149 4.1645 44.1149 4.1645 44.1149 4.1645 44.1149 4.1645 44.1149 4.1645 44.1149 4.1645 0.0000 0.0000
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3.100 48.7033 5.5614 48.7033 5.5614 48.7033 5.5614 48.7033 5.5614 48.7033 5.5614 48.7033 5.5614 0.0000 0.0000
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3.200 54.8673 7.8698 54.8673 7.8698 54.8673 7.8698 54.8673 7.8698 54.8673 7.8698 54.8673 7.8698 0.0043 0.0000
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3.300 63.5767 12.1249 63.5767 12.1249 63.5767 12.1249 63.5767 12.1249 63.5767 12.1249 63.5767 12.1249 0.2373 0.0009
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3.400 76.5414 21.3007 76.5414 21.3007 76.5414 21.3007 76.5414 21.3007 76.5414 21.3007 76.5414 21.3007 4.7668 0.0184
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3.500 94.9245 45.8999 94.9245 45.8999 94.9245 45.8999 94.9245 45.9000 94.9245 45.8999 94.9245 45.9000 35.2306 0.1479
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3.600 88.1402 116.7663 88.1402 116.7663 88.1402 116.7663 88.1402 116.7663 88.1402 116.7663 88.1402 116.7663 95.7901 0.4999
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3.700 -23.9581 117.3383 -23.9581 117.3383 -23.9581 117.3383 -23.9581 117.3383 -23.9581 117.3383 -23.9581 117.3383 95.8136 0.8520
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3.800 -29.7565 47.5724 -29.7565 47.5724 -29.7565 47.5724 -29.7565 47.5724 -29.7565 47.5723 -29.7565 47.5724 35.2565 0.9816
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3.900 -9.1851 24.3241 -9.1851 24.3241 -9.1851 24.3241 -9.1851 24.3241 -9.1851 24.3241 -9.1851 24.3241 4.7726 0.9991
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4.000 7.4341 17.0112 7.4341 17.0112 7.4341 17.0112 7.4341 17.0112 7.4341 17.0112 7.4341 17.0112 0.2377 1.0000
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4.100 21.8502 15.6335 21.8502 15.6335 21.8502 15.6335 21.8502 15.6335 21.8502 15.6335 21.8502 15.6335 0.0072 1.0000
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4.200 36.8793 18.3843 36.8793 18.3843 36.8793 18.3843 36.8793 18.3843 36.8793 18.3843 36.8793 18.3843 0.1858 1.0007
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4.300 55.5223 27.4443 55.5223 27.4443 55.5223 27.4443 55.5223 27.4443 55.5223 27.4443 55.5223 27.4443 4.4725 1.0171
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4.400 80.5925 53.3232 80.5925 53.3232 80.5925 53.3232 80.5925 53.3232 80.5925 53.3232 80.5925 53.3232 39.6183 1.1627
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4.500 89.0943 133.1558 89.0943 133.1558 89.0943 133.1558 89.0943 133.1558 89.0943 133.1558 89.0944 133.1558 129.1060 1.6372
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4.600 -50.2761 176.1274 -50.2761 176.1274 -50.2761 176.1274 -50.2761 176.1274 -50.2761 176.1274 -50.2761 176.1274 154.7759 2.2060
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4.700 -82.5283 74.2684 -82.5283 74.2684 -82.5283 74.2684 -82.5283 74.2684 -82.5283 74.2684 -82.5283 74.2684 68.3055 2.4570
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4.800 -54.8677 37.1367 -54.8677 37.1367 -54.8677 37.1367 -54.8677 37.1367 -54.8677 37.1367 -54.8677 37.1367 12.7798 2.5040
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4.900 -30.8553 29.0821 -30.8553 29.0821 -30.8553 29.0821 -30.8553 29.0821 -30.8553 29.0821 -30.8553 29.0821 23.9298 2.5919
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5.000 -11.8152 40.6609 -11.8152 40.6609 -11.8152 40.6609 -11.8152 40.6609 -11.8152 40.6609 -11.8152 40.6609 116.8250 3.0212
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5.100 -29.8645 73.9815 -29.8645 73.9815 -29.8645 73.9815 -29.8645 73.9815 -29.8645 73.9815 -29.8645 73.9815 215.7230 3.8140
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5.200 -65.1638 43.1783 -65.1638 43.1783 -65.1638 43.1783 -65.1638 43.1783 -65.1638 43.1783 -65.1638 43.1783 146.5602 4.3526
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5.300 -55.0874 18.9568 -55.0874 18.9568 -55.0874 18.9568 -55.0874 18.9568 -55.0874 18.9568 -55.0874 18.9568 36.6304 4.4872
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5.400 -44.4244 10.6013 -44.4244 10.6013 -44.4244 10.6013 -44.4244 10.6013 -44.4244 10.6013 -44.4244 10.6013 3.3683 4.4996
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5.500 -36.8217 7.0734 -36.8217 7.0734 -36.8217 7.0734 -36.8217 7.0734 -36.8217 7.0734 -36.8217 7.0734 0.1463 4.5001
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5.600 -31.1469 5.3748 -31.1469 5.3748 -31.1469 5.3748 -31.1469 5.3748 -31.1469 5.3748 -31.1469 5.3748 1.2203 4.5046
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5.700 -26.5616 4.7346 -26.5616 4.7346 -26.5616 4.7346 -26.5616 4.7346 -26.5616 4.7346 -26.5616 4.7346 16.8905 4.5667
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5.800 -22.7292 5.4774 -22.7292 5.4774 -22.7292 5.4774 -22.7292 5.4774 -22.7292 5.4774 -22.7292 5.4774 86.1078 4.8831
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5.900 -22.2721 8.0965 -22.2721 8.0965 -22.2721 8.0965 -22.2721 8.0965 -22.2721 8.0965 -22.2721 8.0965 161.4905 5.4766
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6.000 -23.7059 5.3088 -23.7059 5.3088 -23.7059 5.3088 -23.7059 5.3088 -23.7059 5.3088 -23.7059 5.3088 111.4185 5.8860
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6.100 -21.4044 3.0133 -21.4044 3.0133 -21.4044 3.0133 -21.4044 3.0133 -21.4044 3.0133 -21.4044 3.0133 28.2796 5.9900
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6.200 -19.2048 2.1286 -19.2048 2.1286 -19.2048 2.1286 -19.2048 2.1286 -19.2048 2.1286 -19.2048 2.1286 2.6405 5.9997
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6.300 -17.4123 1.6886 -17.4123 1.6886 -17.4123 1.6886 -17.4123 1.6886 -17.4123 1.6886 -17.4123 1.6886 0.0907 6.0000
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6.400 -15.9081 1.4245 -15.9081 1.4245 -15.9081 1.4245 -15.9081 1.4245 -15.9081 1.4245 -15.9081 1.4245 0.0054 6.0000
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6.500 -14.6021 1.2552 -14.6021 1.2552 -14.6021 1.2552 -14.6021 1.2552 -14.6021 1.2552 -14.6021 1.2552 0.1994 6.0007
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6.600 -13.4320 1.1640 -13.4320 1.1640 -13.4320 1.1640 -13.4320 1.1640 -13.4320 1.1640 -13.4320 1.1640 3.4425 6.0134
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6.700 -12.3615 1.2005 -12.3615 1.2005 -12.3615 1.2005 -12.3615 1.2005 -12.3615 1.2005 -12.3615 1.2005 21.8626 6.0937
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6.800 -11.6007 1.5078 -11.6007 1.5078 -11.6007 1.5078 -11.6007 1.5078 -11.6007 1.5078 -11.6007 1.5078 51.0791 6.2815
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6.900 -11.3636 1.2952 -11.3636 1.2952 -11.3636 1.2952 -11.3636 1.2952 -11.3636 1.2952 -11.3636 1.2952 43.9025 6.4428
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7.000 -10.6120 0.9164 -10.6120 0.9164 -10.6120 0.9164 -10.6120 0.9164 -10.6120 0.9164 -10.6120 0.9164 13.8817 6.4938
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7.100 -9.8386 0.7661 -9.8386 0.7661 -9.8386 0.7661 -9.8386 0.7661 -9.8386 0.7661 -9.8386 0.7661 1.6234 6.4998
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7.200 -9.1312 0.6981 -9.1312 0.6981 -9.1312 0.6981 -9.1312 0.6981 -9.1312 0.6981 -9.1312 0.6981 0.5120 6.5017
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7.300 -8.4667 0.6797 -8.4667 0.6797 -8.4667 0.6797 -8.4667 0.6797 -8.4667 0.6797 -8.4667 0.6797 8.3554 6.5324
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7.400 -7.8274 0.7421 -7.8274 0.7421 -7.8274 0.7421 -7.8274 0.7421 -7.8274 0.7421 -7.8274 0.7421 57.9731 6.7454
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7.500 -7.3464 1.0023 -7.3464 1.0023 -7.3464 1.0023 -7.3464 1.0023 -7.3464 1.0023 -7.3464 1.0023 147.9947 7.2893
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7.600 -7.2831 0.9348 -7.2831 0.9348 -7.2831 0.9348 -7.2831 0.9348 -7.2831 0.9348 -7.2831 0.9348 138.9860 7.8000
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7.700 -6.8036 0.6548 -6.8036 0.6548 -6.8036 0.6548 -6.8036 0.6548 -6.8036 0.6548 -6.8036 0.6548 48.0177 7.9765
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7.800 -6.2548 0.5584 -6.2548 0.5584 -6.2548 0.5584 -6.2548 0.5584 -6.2548 0.5584 -6.2548 0.5584 6.1034 7.9989
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7.900 -5.7298 0.5273 -5.7298 0.5273 -5.7298 0.5273 -5.7298 0.5273 -5.7298 0.5273 -5.7298 0.5273 0.3278 8.0001
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8.000 -5.2137 0.5258 -5.2137 0.5258 -5.2137 0.5258 -5.2137 0.5258 -5.2137 0.5258 -5.2137 0.5258 1.3564 8.0051
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8.100 -4.6874 0.5482 -4.6874 0.5482 -4.6874 0.5482 -4.6874 0.5482 -4.6874 0.5482 -4.6874 0.5482 15.8469 8.0634
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8.200 -4.1291 0.6003 -4.1291 0.6003 -4.1291 0.6003 -4.1291 0.6003 -4.1291 0.6003 -4.1291 0.6003 68.3712 8.3146
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8.300 -3.5096 0.7008 -3.5096 0.7008 -3.5096 0.7008 -3.5096 0.7008 -3.5096 0.7008 -3.5096 0.7008 109.0419 8.7153
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8.400 -2.7797 0.8974 -2.7797 0.8974 -2.7797 0.8974 -2.7797 0.8974 -2.7797 0.8974 -2.7797 0.8974 72.4373 8.9815
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8.500 -1.8850 1.3471 -1.8850 1.3471 -1.8850 1.3471 -1.8850 1.3471 -1.8850 1.3471 -1.8850 1.3471 71.8799 9.2457
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8.600 -1.1125 2.3805 -1.1125 2.3805 -1.1125 2.3805 -1.1125 2.3805 -1.1125 2.3805 -1.1125 2.3805 169.0704 9.8670
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8.700 -0.5640 3.3526 -0.5640 3.3526 -0.5640 3.3526 -0.5640 3.3526 -0.5640 3.3526 -0.5640 3.3526 283.9605 10.9106
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8.800 0.3017 5.7106 0.3017 5.7106 0.3017 5.7106 0.3017 5.7106 0.3017 5.7106 0.3017 5.7106 387.6856 12.3353
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8.900 -3.0239 9.3365 -3.0239 9.3365 -3.0239 9.3365 -3.0239 9.3365 -3.0239 9.3365 -3.0239 9.3365 428.9348 13.9116
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9.000 -5.8132 8.2455 -5.8132 8.2455 -5.8132 8.2455 -5.8132 8.2455 -5.8132 8.2455 -5.8132 8.2455 328.6741 15.1194
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9.100 -9.3511 6.1763 -9.3511 6.1763 -9.3511 6.1763 -9.3511 6.1763 -9.3511 6.1763 -9.3511 6.1763 178.3533 15.7749
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9.200 -8.6809 2.6990 -8.6809 2.6990 -8.6809 2.6990 -8.6809 2.6990 -8.6809 2.6990 -8.6809 2.6990 54.0265 15.9734
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9.300 -7.2980 1.4566 -7.2980 1.4566 -7.2980 1.4566 -7.2980 1.4566 -7.2980 1.4566 -7.2980 1.4566 6.8939 15.9988
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9.400 -6.2749 0.9665 -6.2749 0.9665 -6.2749 0.9665 -6.2749 0.9665 -6.2749 0.9665 -6.2749 0.9665 0.3340 16.0000
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9.500 -5.4947 0.7391 -5.4947 0.7391 -5.4947 0.7391 -5.4947 0.7391 -5.4947 0.7391 -5.4947 0.7391 0.0060 16.0000
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9.600 -4.8472 0.6309 -4.8472 0.6309 -4.8472 0.6309 -4.8472 0.6309 -4.8472 0.6309 -4.8472 0.6309 0.0000 16.0000
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9.700 -4.2615 0.5955 -4.2615 0.5955 -4.2615 0.5955 -4.2615 0.5955 -4.2615 0.5955 -4.2615 0.5955 0.0001 16.0000
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9.800 -3.6824 0.6264 -3.6824 0.6264 -3.6824 0.6264 -3.6824 0.6264 -3.6824 0.6264 -3.6824 0.6264 0.0122 16.0000
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9.900 -3.0501 0.7537 -3.0501 0.7537 -3.0501 0.7537 -3.0501 0.7537 -3.0501 0.7537 -3.0501 0.7537 0.5800 16.0025
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10.000 -2.2830 1.0902 -2.2830 1.0902 -2.2830 1.0902 -2.2830 1.0902 -2.2830 1.0902 -2.2830 1.0902 10.1672 16.0165
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