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 = 64
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# nkbz = 64
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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 20.1670 0.0000 19.8584 0.0000 19.2924 0.0000 17.4883 0.0000 17.9617 0.0000 18.2187 0.0000
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0.100 20.1816 0.0295 19.8728 0.0289 19.3062 0.0277 17.5002 0.0239 17.9741 0.0249 18.2314 0.0254
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0.200 20.2258 0.0592 19.9161 0.0581 19.3477 0.0557 17.5360 0.0481 18.0115 0.0501 18.2695 0.0511
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0.300 20.2999 0.0896 19.9887 0.0878 19.4174 0.0842 17.5962 0.0727 18.0741 0.0758 18.3334 0.0772
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0.400 20.4046 0.1209 20.0915 0.1185 19.5159 0.1136 17.6811 0.0980 18.1627 0.1022 18.4237 0.1042
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0.500 20.5412 0.1534 20.2254 0.1504 19.6443 0.1442 17.7918 0.1243 18.2782 0.1296 18.5413 0.1322
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0.600 20.7109 0.1876 20.3918 0.1840 19.8038 0.1763 17.9293 0.1519 18.4216 0.1585 18.6875 0.1615
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0.700 20.9157 0.2239 20.5926 0.2195 19.9963 0.2104 18.0950 0.1811 18.5945 0.1890 18.8638 0.1926
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0.800 21.1578 0.2627 20.8300 0.2576 20.2238 0.2468 18.2907 0.2123 18.7988 0.2216 19.0721 0.2259
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0.900 21.4401 0.3047 21.1069 0.2988 20.4890 0.2862 18.5187 0.2459 19.0367 0.2567 19.3147 0.2617
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1.000 21.7659 0.3506 21.4264 0.3438 20.7951 0.3292 18.7815 0.2824 19.3112 0.2950 19.5944 0.3008
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1.100 22.1396 0.4010 21.7928 0.3933 21.1459 0.3765 19.0824 0.3226 19.6255 0.3371 19.9149 0.3437
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1.200 22.5661 0.4572 22.2111 0.4483 21.5462 0.4290 19.4252 0.3671 19.9838 0.3837 20.2802 0.3913
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1.300 23.0516 0.5203 22.6872 0.5102 22.0018 0.4880 19.8147 0.4168 20.3911 0.4360 20.6956 0.4446
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1.400 23.6038 0.5919 23.2287 0.5804 22.5196 0.5549 20.2567 0.4731 20.8535 0.4951 21.1671 0.5049
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1.500 24.2318 0.6739 23.8446 0.6610 23.1082 0.6315 20.7581 0.5373 21.3785 0.5627 21.7024 0.5738
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1.600 24.9472 0.7692 24.5462 0.7544 23.7785 0.7203 21.3279 0.6114 21.9753 0.6408 22.3111 0.6535
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1.700 25.7644 0.8810 25.3478 0.8641 24.5437 0.8246 21.9767 0.6980 22.6555 0.7322 23.0048 0.7467
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1.800 26.7018 1.0140 26.2673 0.9948 25.4208 0.9485 22.7185 0.8006 23.4339 0.8405 23.7986 0.8572
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1.900 27.7829 1.1747 27.3280 1.1527 26.4318 1.0980 23.5707 0.9237 24.3290 0.9709 24.7116 0.9901
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2.000 29.0386 1.3722 28.5602 1.3468 27.6051 1.2817 24.5565 1.0742 25.3656 1.1304 25.7687 1.1527
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2.100 30.5100 1.6196 30.0044 1.5903 28.9790 1.5115 25.7063 1.2616 26.5761 1.3294 27.0030 1.3554
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2.200 32.2534 1.9368 31.7164 1.9027 30.6055 1.8061 27.0617 1.5003 28.0051 1.5834 28.4599 1.6140
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2.300 34.3478 2.3549 33.7743 2.3151 32.5579 2.1940 28.6807 1.8127 29.7147 1.9166 30.2026 1.9529
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2.400 36.9083 2.9250 36.2921 2.8786 34.9426 2.7227 30.6473 2.2357 31.7953 2.3688 32.3224 2.4123
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2.500 40.1087 3.7365 39.4425 3.6828 37.9207 3.4749 33.0878 2.8334 34.3827 3.0094 34.9570 3.0619
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2.600 44.2245 4.9579 43.5002 4.8976 41.7472 4.6068 36.2014 3.7262 37.6920 3.9694 38.3236 4.0330
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2.700 49.7169 6.9413 48.9266 6.8802 46.8497 6.4440 40.3201 5.1648 42.0822 5.5220 42.7840 5.5978
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2.800 57.3980 10.5256 56.5360 10.4888 53.9814 9.7612 46.0255 7.7458 48.1841 8.3193 48.9731 8.4018
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2.900 68.6630 18.1074 67.7205 18.1998 64.4497 16.7617 54.3120 13.1720 57.0777 14.2286 57.9880 14.2755
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3.000 84.1488 38.0696 82.9063 38.7474 79.0609 35.1548 65.5948 27.3898 69.2123 29.7974 70.5091 29.6145
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3.100 78.2417 89.5403 74.0211 90.6900 74.7154 85.1922 61.5779 63.2493 64.2653 69.7332 67.3229 71.1443
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3.200 14.8039 95.3707 10.7981 91.5895 10.0007 87.8164 20.4537 69.2149 14.9335 72.3568 14.6052 72.3633
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3.300 4.8062 66.9125 2.9050 61.8376 3.2211 58.4199 8.2935 51.1200 10.1280 49.3572 13.8326 48.9541
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3.400 1.4153 56.1203 1.4349 51.7167 2.0361 50.1340 6.6878 38.5524 10.4663 42.5160 14.7795 48.5209
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3.500 12.6343 52.6690 13.6015 45.3019 11.5856 40.6235 19.2500 32.9500 21.1998 42.0589 20.5425 50.8118
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3.600 0.4205 67.5183 10.5635 65.1935 15.9048 56.5336 23.8761 51.4809 12.2342 60.4928 3.7494 62.9418
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3.700 -14.7281 52.1734 -11.4377 55.8878 -5.3406 55.5827 3.1726 53.1170 -4.8342 48.7378 -10.2020 48.2270
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3.800 -8.4001 41.0718 -6.3464 44.3410 -0.0871 44.9673 2.8843 46.6009 0.1244 41.5458 -2.9810 37.8985
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3.900 -0.8844 43.3422 -2.7660 46.9807 -2.0747 53.1287 -1.2645 46.5494 0.1779 44.9655 0.5340 41.6938
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4.000 -6.1832 55.8855 -9.8895 54.6006 -11.4319 54.4121 -6.1898 49.1015 -5.8889 47.8713 -4.1721 46.6997
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4.100 -18.6758 54.3617 -19.4512 52.9735 -18.6701 52.8261 -12.7220 46.2469 -12.3302 47.0484 -10.7571 46.2979
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4.200 -32.9208 45.3120 -33.9067 43.6184 -34.1639 44.4575 -23.3548 39.0690 -22.9521 38.9699 -20.8730 40.5927
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4.300 -29.4804 28.9470 -30.9151 26.4012 -32.9639 25.9101 -19.6108 25.6686 -17.8598 27.1848 -17.2311 29.3865
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4.400 -22.1129 30.3242 -21.4752 23.0790 -23.0665 18.7692 -10.0037 25.0442 -11.1881 31.4280 -11.4503 34.4762
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4.500 -31.6549 30.4408 -20.3037 29.2800 -15.6490 21.8253 -9.7381 35.8254 -19.0186 34.5615 -21.9676 39.5393
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4.600 -31.6570 18.0449 -29.8119 23.4246 -21.2232 28.1957 -24.8617 35.6884 -25.7354 31.3648 -32.2153 27.7482
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4.700 -26.9804 12.7200 -26.4978 14.8342 -26.1920 18.3667 -29.1460 21.8646 -29.1548 19.8333 -28.9083 17.1123
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4.800 -21.8700 9.3372 -22.3847 11.5283 -21.6883 13.6249 -24.7140 14.6284 -23.8701 13.1919 -24.2213 11.9346
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4.900 -17.2004 10.1869 -18.3289 10.7525 -19.0776 12.6858 -20.3693 11.9522 -19.7430 11.3116 -19.4482 10.2295
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5.000 -16.3166 11.5482 -16.5901 12.0557 -17.4740 12.1034 -17.8811 10.9697 -17.1047 11.2893 -16.6762 10.3403
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5.100 -17.0177 11.5993 -17.9113 11.6005 -17.8744 12.0169 -16.9152 10.7021 -16.9778 10.7408 -16.0133 10.1088
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5.200 -16.4006 9.5994 -16.4077 8.8544 -17.0150 9.1705 -15.4489 8.2860 -14.9792 8.5636 -13.8695 9.3574
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5.300 -15.0553 10.4549 -14.9204 9.9365 -15.1538 9.3020 -12.2684 8.9543 -12.9541 10.2773 -13.3988 11.5803
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5.400 -17.0832 9.4101 -16.1325 9.0364 -15.8188 8.3798 -13.4728 10.6226 -14.8472 9.9853 -15.8409 10.3516
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5.500 -16.2873 6.5952 -15.5591 7.1184 -14.3987 6.8688 -13.9455 8.9948 -14.3425 8.2334 -15.3129 7.9716
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5.600 -14.6465 5.5265 -14.4191 6.0593 -13.4656 6.8816 -13.7391 8.2323 -13.8076 7.4642 -14.2764 6.7067
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5.700 -13.1168 5.2785 -13.3137 5.4731 -13.3574 6.2001 -13.6568 7.3395 -13.2564 6.7944 -13.3814 5.7710
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5.800 -13.3027 5.7278 -12.9094 5.6766 -12.7867 5.9176 -14.1104 6.4015 -13.3541 6.5491 -12.2268 5.7904
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5.900 -13.3259 4.0447 -13.0180 4.5071 -12.9136 4.9691 -13.3760 4.0637 -13.4484 4.6022 -12.9629 5.3287
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