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 19.5387 0.0000 19.2416 0.0000 18.6868 0.0000 16.9444 0.0000 17.4025 0.0000 17.6559 0.0000
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0.100 19.5518 0.0264 19.2545 0.0259 18.6991 0.0248 16.9551 0.0214 17.4136 0.0223 17.6673 0.0227
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0.200 19.5913 0.0530 19.2932 0.0520 18.7362 0.0498 16.9872 0.0430 17.4470 0.0448 17.7013 0.0457
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0.300 19.6575 0.0801 19.3583 0.0786 18.7985 0.0752 17.0409 0.0649 17.5030 0.0677 17.7584 0.0690
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0.400 19.7512 0.1079 19.4501 0.1059 18.8865 0.1014 17.1169 0.0875 17.5821 0.0912 17.8391 0.0930
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0.500 19.8730 0.1368 19.5697 0.1342 19.0010 0.1285 17.2157 0.1109 17.6850 0.1155 17.9441 0.1178
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0.600 20.0243 0.1670 19.7181 0.1639 19.1431 0.1569 17.3383 0.1353 17.8128 0.1410 18.0743 0.1438
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0.700 20.2065 0.1989 19.8969 0.1952 19.3142 0.1868 17.4858 0.1610 17.9665 0.1678 18.2311 0.1711
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0.800 20.4215 0.2329 20.1078 0.2285 19.5161 0.2187 17.6597 0.1883 18.1478 0.1963 18.4160 0.2002
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0.900 20.6715 0.2694 20.3531 0.2644 19.7509 0.2529 17.8617 0.2176 18.3585 0.2269 18.6308 0.2314
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1.000 20.9593 0.3090 20.6356 0.3032 20.0210 0.2900 18.0940 0.2492 18.6007 0.2599 18.8779 0.2651
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1.100 21.2883 0.3522 20.9583 0.3456 20.3297 0.3305 18.3591 0.2836 18.8773 0.2960 19.1599 0.3018
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1.200 21.6623 0.3999 21.3254 0.3924 20.6806 0.3750 18.6601 0.3215 19.1915 0.3356 19.4803 0.3423
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1.300 22.0863 0.4529 21.7414 0.4445 21.0781 0.4246 19.0006 0.3634 19.5470 0.3795 19.8430 0.3871
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1.400 22.5660 0.5125 22.2122 0.5029 21.5277 0.4802 19.3852 0.4103 19.9488 0.4287 20.2527 0.4373
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1.500 23.1085 0.5799 22.7446 0.5691 22.0360 0.5431 19.8192 0.4633 20.4023 0.4843 20.7153 0.4939
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1.600 23.7225 0.6571 23.3471 0.6449 22.6108 0.6150 20.3092 0.5236 20.9147 0.5476 21.2379 0.5586
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1.700 24.4185 0.7463 24.0303 0.7326 23.2622 0.6981 20.8633 0.5930 21.4943 0.6207 21.8291 0.6330
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1.800 25.2099 0.8507 24.8072 0.8351 24.0023 0.7953 21.4913 0.6738 22.1519 0.7058 22.4998 0.7198
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1.900 26.1133 0.9743 25.6941 0.9567 24.8467 0.9102 22.2060 0.7691 22.9007 0.8062 23.2634 0.8222
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2.000 27.1499 1.1227 26.7121 1.1027 25.8148 1.0480 23.0231 0.8829 23.7575 0.9263 24.1373 0.9446
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2.100 28.3474 1.3037 27.8884 1.2809 26.9323 1.2160 23.9633 1.0209 24.7444 1.0722 25.1436 1.0932
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2.200 29.7422 1.5285 29.2589 1.5024 28.2328 1.4244 25.0536 1.1913 25.8900 1.2526 26.3115 1.2768
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2.300 31.3834 1.8136 30.8723 1.7835 29.7616 1.6883 26.3304 1.4060 27.2331 1.4803 27.6804 1.5083
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2.400 33.3392 2.1840 32.7960 2.1495 31.5815 2.0309 27.8436 1.6834 28.8271 1.7750 29.3044 1.8076
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2.500 35.7065 2.6803 35.1264 2.6406 33.7820 2.4894 29.6644 2.0525 30.7480 2.1679 31.2602 2.2059
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2.600 38.6292 3.3706 38.0065 3.3252 36.4954 3.1263 31.8975 2.5624 33.1079 2.7119 33.6610 2.7560
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2.700 42.3290 4.3778 41.6577 4.3274 39.9257 4.0543 34.7036 3.3011 36.0796 3.5019 36.6803 3.5525
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2.800 47.1666 5.9437 46.4411 5.8921 44.4044 5.4943 38.3431 4.4416 39.9427 4.7249 40.5985 4.7799
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2.900 53.7611 8.6003 52.9787 8.5618 50.5002 7.9302 43.2609 6.3633 45.1769 6.7923 45.8944 6.8402
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3.000 63.2152 13.7089 62.3806 13.7360 59.2293 12.5902 50.2465 10.0369 52.6347 10.7576 53.4200 10.7507
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3.100 77.2083 25.5209 76.3119 25.8248 72.2054 23.2663 60.4910 18.4955 63.6081 19.9185 64.5275 19.6406
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3.200 92.0230 59.2549 90.4803 60.6814 87.1571 53.8339 71.2026 42.5513 75.1428 46.1034 77.4004 44.9408
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3.300 51.1218 113.7235 44.5020 113.9748 48.1747 111.7038 42.6838 79.5802 42.7188 88.0184 46.0896 92.9937
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3.400 -4.0575 86.4070 -6.7008 80.7383 -5.6788 75.7252 7.3556 64.7063 1.6846 63.6264 2.2621 62.6263
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3.500 -0.5335 57.1051 -1.8115 53.0203 -1.2341 51.6675 3.4307 43.7905 7.0212 42.8915 11.2721 44.4958
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3.600 5.1553 51.5589 4.5053 46.4754 3.8912 44.4329 9.4227 34.2991 13.3634 39.1407 16.6078 45.9338
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3.700 14.5333 61.6098 17.2880 52.1843 15.6329 45.7022 23.2238 37.3215 23.6530 48.6912 21.3969 58.8310
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3.800 -14.9354 70.3002 -3.5053 71.4892 6.4233 63.9659 16.0890 59.6699 1.3031 64.3081 -9.0104 65.4402
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3.900 -21.2399 44.2000 -18.4438 48.7298 -12.8208 51.0038 -5.0309 50.8507 -10.5738 44.0014 -15.3955 40.9763
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4.000 -9.2959 36.4175 -8.6897 40.5769 -3.5967 43.4035 -2.0484 43.0336 -1.8824 38.4573 -3.6178 34.4927
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4.100 -1.9381 41.2523 -4.8810 44.2965 -7.3027 49.2487 -3.0619 42.2801 -1.5655 42.0865 -0.4544 39.8889
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4.200 -7.6381 53.8423 -11.4470 52.0612 -12.6244 50.2428 -6.5344 46.8553 -5.6115 46.1109 -4.7387 45.3769
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4.300 -23.2757 53.7083 -24.1788 51.3373 -22.7265 51.4689 -16.3560 45.5494 -15.7502 46.8518 -13.9431 46.1743
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4.400 -33.9451 38.7145 -34.7330 36.6943 -35.5588 37.2636 -23.7956 33.2964 -23.3046 34.4891 -21.8824 36.0514
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4.500 -27.3815 26.9761 -28.7748 23.4981 -30.5406 22.2407 -16.8594 23.6162 -15.8809 26.5055 -15.4509 28.7283
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4.600 -23.2800 30.4792 -19.9013 22.6325 -20.9733 17.9435 -8.0127 26.7225 -12.2406 33.1796 -12.9662 36.1858
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4.700 -32.3546 26.9459 -22.9421 29.2087 -15.5212 22.8127 -13.7098 38.2142 -20.9446 34.0982 -26.3233 37.8061
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4.800 -30.6131 16.4128 -29.2632 20.6953 -23.7511 25.8985 -27.8671 32.1952 -28.4387 28.6077 -32.2747 24.2424
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4.900 -26.5298 12.2410 -25.9085 14.0441 -25.2137 16.8643 -28.8634 19.9384 -28.8727 18.1166 -28.3581 15.5219
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5.000 -22.1495 9.1315 -22.6912 11.1504 -21.8397 13.2495 -24.7431 13.5777 -24.1150 12.4514 -24.1203 11.1008
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5.100 -18.5844 9.3262 -19.2982 9.6492 -19.7518 11.4461 -21.0196 11.0293 -20.4700 10.3047 -19.7746 9.0794
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5.200 -16.3253 10.0177 -16.7262 10.5825 -17.2030 11.0744 -17.9878 9.8329 -17.3689 10.1544 -16.1810 9.5140
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5.300 -17.3917 11.0793 -18.1534 10.7283 -18.3602 11.4390 -17.3646 9.8462 -17.4450 10.0572 -16.2811 10.2326
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5.400 -17.3806 8.9189 -16.9944 8.1466 -17.6463 8.4364 -15.8343 7.5534 -15.7032 8.0059 -14.9336 9.3529
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5.500 -16.8668 8.5819 -16.2625 8.0993 -16.4179 7.5644 -13.3793 8.2326 -14.5852 9.0388 -15.5945 10.2586
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5.600 -16.9264 6.1689 -16.0874 6.4007 -15.4613 6.0831 -14.6700 8.3497 -15.5225 7.5925 -16.6712 7.6532
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5.700 -14.9031 4.7155 -14.3297 5.0561 -13.7518 5.2381 -13.6816 6.4492 -14.1949 5.9852 -14.7840 5.5323
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5.800 -13.4622 4.4654 -13.0583 5.0069 -12.3237 5.4751 -12.7178 6.3250 -12.8887 5.4681 -13.4045 5.1491
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5.900 -12.3126 4.4773 -12.2670 4.9172 -12.1650 5.4945 -12.3474 5.9942 -12.0283 5.4119 -12.3065 4.5080
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