mirror of https://github.com/abinit/abinit.git
82 lines
8.3 KiB
Plaintext
82 lines
8.3 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 = -0.0010 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 = 8
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# nkbz = 8
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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 20.1434 0.0000 19.7785 0.0000 19.2371 0.0000 17.5835 0.0000 18.0316 0.0000 18.3857 0.0000
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0.100 20.1580 0.0292 19.7927 0.0284 19.2507 0.0273 17.5955 0.0241 18.0440 0.0250 18.3986 0.0259
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0.200 20.2018 0.0587 19.8352 0.0570 19.2916 0.0548 17.6316 0.0484 18.0815 0.0503 18.4374 0.0521
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0.300 20.2752 0.0888 19.9065 0.0863 19.3602 0.0829 17.6921 0.0731 18.1444 0.0760 18.5026 0.0788
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0.400 20.3791 0.1198 20.0074 0.1164 19.4572 0.1119 17.7776 0.0986 18.2333 0.1025 18.5947 0.1062
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0.500 20.5144 0.1521 20.1389 0.1477 19.5835 0.1419 17.8890 0.1251 18.3490 0.1300 18.7147 0.1348
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0.600 20.6826 0.1859 20.3022 0.1805 19.7405 0.1735 18.0273 0.1528 18.4929 0.1589 18.8639 0.1648
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0.700 20.8856 0.2218 20.4993 0.2154 19.9299 0.2070 18.1941 0.1822 18.6662 0.1895 19.0437 0.1965
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0.800 21.1255 0.2603 20.7322 0.2526 20.1537 0.2427 18.3910 0.2135 18.8710 0.2221 19.2561 0.2305
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0.900 21.4051 0.3018 21.0036 0.2929 20.4144 0.2813 18.6202 0.2473 19.1096 0.2573 19.5037 0.2671
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1.000 21.7279 0.3471 21.3167 0.3368 20.7152 0.3234 18.8845 0.2840 19.3846 0.2956 19.7892 0.3070
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1.100 22.0978 0.3970 21.6756 0.3851 21.0597 0.3696 19.1869 0.3242 19.6995 0.3377 20.1163 0.3508
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1.200 22.5200 0.4524 22.0851 0.4387 21.4527 0.4210 19.5315 0.3688 20.0584 0.3843 20.4892 0.3994
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1.300 23.0004 0.5147 22.5508 0.4989 21.8995 0.4785 19.9228 0.4186 20.4662 0.4365 20.9131 0.4539
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1.400 23.5465 0.5852 23.0801 0.5670 22.4071 0.5436 20.3666 0.4749 20.9290 0.4954 21.3946 0.5156
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1.500 24.1673 0.6660 23.6815 0.6451 22.9836 0.6181 20.8699 0.5390 21.4542 0.5627 21.9413 0.5860
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1.600 24.8742 0.7597 24.3660 0.7354 23.6393 0.7043 21.4413 0.6130 22.0509 0.6404 22.5629 0.6675
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1.700 25.6812 0.8696 25.1470 0.8413 24.3871 0.8052 22.0916 0.6993 22.7306 0.7312 23.2716 0.7628
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1.800 26.6062 1.0002 26.0418 0.9671 25.2432 0.9249 22.8345 0.8012 23.5077 0.8387 24.0826 0.8758
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1.900 27.6723 1.1577 27.0724 1.1187 26.2285 1.0690 23.6871 0.9234 24.4006 0.9678 25.0154 1.0117
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2.000 28.9093 1.3510 28.2674 1.3045 27.3701 1.2454 24.6720 1.0722 25.4334 1.1253 26.0956 1.1779
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2.100 30.3573 1.5927 29.6653 1.5367 28.7042 1.4656 25.8190 1.2570 26.6378 1.3212 27.3570 1.3850
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2.200 32.0709 1.9019 31.3183 1.8335 30.2800 1.7466 27.1685 1.4913 28.0572 1.5704 28.8456 1.6489
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2.300 34.1266 2.3083 33.2994 2.2234 32.1664 2.1152 28.7766 1.7966 29.7516 1.8958 30.6258 1.9942
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2.400 36.6350 2.8607 35.7147 2.7527 34.4631 2.6149 30.7239 2.2072 31.8080 2.3350 32.7903 2.4614
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2.500 39.7631 3.6433 38.7236 3.5024 37.3200 3.3213 33.1306 2.7826 34.3561 2.9523 35.4782 3.1199
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2.600 43.7740 4.8141 42.5780 4.6235 40.9733 4.3760 36.1850 3.6325 37.5994 3.8676 38.9081 4.0993
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2.700 49.1058 6.6974 47.6967 6.4279 45.8157 6.0701 40.1970 4.9810 41.8747 5.3260 43.4421 5.6657
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2.800 56.5269 10.0527 54.8148 9.6475 52.5363 9.0860 45.7055 7.3472 47.7686 7.8966 49.7133 8.4397
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2.900 67.3827 16.9906 65.2143 16.3276 62.3406 15.3251 53.6478 12.1624 56.3061 13.1509 58.8254 14.1458
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3.000 82.8330 34.7237 79.9027 33.4897 76.2703 31.3147 64.8418 24.2763 68.4153 26.4274 71.7258 28.6912
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3.100 84.5711 83.5140 80.3698 80.0244 77.2820 75.9208 67.2557 56.7493 70.9697 62.8941 72.8465 68.9373
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3.200 19.8383 105.5285 19.0336 99.6025 18.5809 91.1766 28.4811 76.0049 23.1225 80.5343 22.0720 80.8207
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3.300 -3.7703 68.7163 -3.2608 62.5012 -1.9453 59.3796 6.0758 52.7439 8.0662 54.4830 10.5837 58.7552
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3.400 -0.8659 56.0546 6.5905 47.6450 7.2805 42.6189 13.2449 40.7273 10.8975 49.2709 8.9206 57.0230
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3.500 4.4387 46.4978 12.4898 52.0250 17.0769 45.2845 17.6990 43.6589 9.1267 46.6919 4.7115 47.9804
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3.600 4.8219 57.1622 4.5314 58.8023 15.0093 57.9355 13.1717 54.0726 6.7287 46.8614 7.0913 51.5707
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3.700 -7.5127 46.9972 -7.5856 48.2023 -3.1821 54.6171 0.7288 45.9216 3.4948 42.4180 -6.2843 48.6208
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3.800 0.4836 42.3555 1.5619 42.2110 -0.9667 47.0623 5.2907 43.5672 6.8585 44.7882 -3.3522 38.2712
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3.900 -1.5559 50.5283 -2.0289 52.0037 -3.2076 51.9793 -1.0328 49.6566 -1.2685 49.7413 0.1289 42.8158
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4.000 -7.8442 46.1153 -9.6227 45.2694 -11.3494 45.0020 -7.2537 41.7818 -7.1826 42.2790 -5.8858 40.8538
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4.100 -4.6942 46.6521 -5.6979 45.9223 -6.6737 44.9090 -3.4209 40.4916 -3.7902 41.5647 -1.9192 40.8659
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4.200 -13.4209 54.8265 -14.1358 49.9522 -16.5691 49.0144 -7.9967 44.5983 -8.0792 45.1675 -7.2948 47.6813
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4.300 -24.9757 54.2589 -19.2659 48.1280 -20.8594 43.0993 -11.1976 45.4963 -13.1792 47.6923 -15.4273 50.6224
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4.400 -40.9895 41.6879 -34.9699 46.9784 -28.0680 41.4816 -24.9242 47.4976 -25.9702 45.4369 -31.8113 45.3353
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4.500 -39.6127 27.0540 -38.4105 28.7359 -35.0646 30.1960 -33.2527 33.9157 -34.8055 34.6662 -35.0487 31.6037
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4.600 -35.8236 16.2125 -35.2740 19.5430 -30.6922 21.1585 -32.3699 24.3560 -32.9280 22.1408 -35.2932 20.8135
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4.700 -28.3805 10.7080 -29.6618 12.4468 -29.2598 16.0413 -30.6691 15.5787 -29.7275 15.2749 -29.5560 12.4043
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4.800 -23.6341 9.5751 -24.7123 9.4327 -25.4646 10.9186 -25.1807 10.2806 -25.1230 10.3141 -24.3544 9.0660
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4.900 -19.3272 7.8907 -19.5128 7.5889 -19.9275 8.3327 -19.7729 7.7579 -19.6638 7.7318 -19.2486 7.1411
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5.000 -15.0464 10.0221 -14.7507 9.4512 -15.4058 10.3805 -15.0863 9.0036 -14.8183 9.0060 -15.0254 8.5099
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5.100 -16.7257 12.6045 -15.7942 12.8018 -17.3078 12.4346 -15.7610 11.1052 -15.2297 11.5576 -14.9030 9.9632
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5.200 -17.4239 10.3091 -17.2392 11.1567 -17.3537 9.6332 -15.4701 8.6226 -15.5280 9.9681 -13.9369 9.8401
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5.300 -16.9064 9.4838 -17.0213 9.2392 -16.0149 8.4201 -13.1724 8.6229 -14.4830 9.7013 -14.7919 10.3886
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5.400 -16.5798 7.7681 -15.8082 7.7170 -14.8125 8.0679 -13.7615 9.6374 -15.1742 9.0423 -15.3833 8.7984
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5.500 -14.9942 6.8500 -14.2213 7.5715 -14.5917 7.6162 -13.7703 8.4719 -14.3153 7.5348 -14.6084 7.3667
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5.600 -14.8410 6.7633 -14.7605 7.5137 -13.9744 7.1051 -14.5021 7.8962 -13.8649 7.2770 -14.1984 6.3960
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5.700 -13.9529 5.5873 -14.0478 6.0567 -13.6921 6.1307 -13.7664 5.8700 -13.4604 6.1880 -13.1558 5.3126
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5.800 -13.7454 5.6338 -13.6601 6.1217 -12.9329 6.0062 -13.2283 5.4044 -13.2588 6.0828 -12.0986 5.3901
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5.900 -13.6784 4.0933 -13.8424 4.5876 -13.3266 5.3481 -12.7988 4.0678 -13.3568 4.3228 -12.6289 4.9722
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