mirror of https://github.com/abinit/abinit.git
78 lines
9.3 KiB
Plaintext
78 lines
9.3 KiB
Plaintext
# RPA macroscopic dielectric function without local fields
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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) ) ... DOS IDOS
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0.000 21.7624 0.0000 21.4264 0.0000 20.8217 0.0000 18.8552 0.0000 19.3688 0.0000 19.6533 0.0000 0.0000 0.0000
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0.100 21.7816 0.0384 21.4451 0.0377 20.8397 0.0362 18.8707 0.0311 19.3850 0.0325 19.6698 0.0332 0.0000 0.0000
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0.200 21.8392 0.0774 21.5016 0.0759 20.8939 0.0728 18.9173 0.0626 19.4337 0.0654 19.7196 0.0668 0.0000 0.0000
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0.300 21.9360 0.1173 21.5965 0.1150 20.9851 0.1104 18.9957 0.0949 19.5155 0.0991 19.8031 0.1012 0.0000 0.0000
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0.400 22.0732 0.1587 21.7311 0.1556 21.1142 0.1494 19.1067 0.1283 19.6314 0.1340 19.9215 0.1368 0.0000 0.0000
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0.500 22.2527 0.2022 21.9071 0.1983 21.2831 0.1903 19.2518 0.1634 19.7830 0.1707 20.0762 0.1743 0.0000 0.0000
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0.600 22.4768 0.2486 22.1268 0.2437 21.4939 0.2338 19.4328 0.2006 19.9720 0.2096 20.2693 0.2141 0.0000 0.0000
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0.700 22.7486 0.2984 22.3933 0.2926 21.7496 0.2807 19.6521 0.2405 20.2012 0.2514 20.5033 0.2568 0.0000 0.0000
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0.800 23.0721 0.3528 22.7105 0.3459 22.0539 0.3317 19.9127 0.2839 20.4736 0.2969 20.7816 0.3033 0.0000 0.0000
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0.900 23.4522 0.4127 23.0832 0.4047 22.4112 0.3879 20.2185 0.3316 20.7934 0.3469 21.1083 0.3544 0.0000 0.0000
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1.000 23.8951 0.4797 23.5176 0.4703 22.8275 0.4507 20.5741 0.3846 21.1655 0.4026 21.4885 0.4114 0.0000 0.0000
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1.100 24.4085 0.5554 24.0210 0.5446 23.3099 0.5217 20.9855 0.4444 21.5962 0.4654 21.9286 0.4756 0.0000 0.0000
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1.200 25.0021 0.6422 24.6031 0.6298 23.8673 0.6029 21.4600 0.5125 22.0933 0.5372 22.4366 0.5491 0.0000 0.0000
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1.300 25.6881 0.7431 25.2759 0.7288 24.5113 0.6973 22.0069 0.5913 22.6667 0.6203 23.0227 0.6342 0.0000 0.0000
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1.400 26.4822 0.8623 26.0546 0.8458 25.2562 0.8087 22.6379 0.6838 23.3289 0.7180 23.6998 0.7342 0.0000 0.0000
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1.500 27.4045 1.0053 26.9593 0.9862 26.1210 0.9423 23.3684 0.7943 24.0962 0.8349 24.4844 0.8539 0.0000 0.0000
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1.600 28.4817 1.1803 28.0161 1.1582 27.1304 1.1056 24.2182 0.9286 24.9898 0.9773 25.3986 0.9999 0.0000 0.0000
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1.700 29.7497 1.3993 29.2605 1.3735 28.3179 1.3097 25.2141 1.0955 26.0386 1.1547 26.4716 1.1817 0.0000 0.0000
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1.800 31.2583 1.6806 30.7414 1.6505 29.7295 1.5718 26.3929 1.3084 27.2818 1.3815 27.7441 1.4143 0.0000 0.0000
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1.900 33.0780 2.0539 32.5288 2.0184 31.4308 1.9191 27.8067 1.5887 28.7755 1.6809 29.2734 1.7214 0.0000 0.0000
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2.000 35.3138 2.5698 34.7263 2.5277 33.5192 2.3985 29.5323 1.9729 30.6025 2.0925 31.1446 2.1440 0.0000 0.0000
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2.100 38.1281 3.3219 37.4951 3.2720 36.1453 3.0964 31.6880 2.5281 32.8905 2.6893 33.4892 2.7572 0.0000 0.0000
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2.200 41.7869 4.5013 41.0997 4.4427 39.5553 4.1879 34.4663 3.3900 35.8483 3.6197 36.5214 3.7148 0.0030 0.0000
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2.300 46.7481 6.5547 45.9962 6.4890 44.1740 6.0792 38.1970 4.8742 39.8342 5.2288 40.6097 5.3771 0.0924 0.0004
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2.400 53.7829 10.7362 52.9508 10.6760 50.7293 9.8935 43.4334 7.8583 45.4568 8.4783 46.3704 8.7598 1.1818 0.0047
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2.500 63.2087 21.3157 62.2239 21.2707 59.7540 19.4382 50.4207 15.2675 53.0695 16.6370 54.0054 17.3346 6.5571 0.0288
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2.600 63.2277 46.4073 62.8217 46.6382 61.5304 43.8750 52.1546 32.8083 53.9578 37.0295 53.6313 37.4008 16.3637 0.0889
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2.700 38.4726 57.4305 34.0811 58.1198 33.4761 57.2487 33.7818 44.5672 31.7465 45.3841 33.1766 44.6944 19.7159 0.1614
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2.800 24.2571 50.6322 21.9330 47.2093 21.6911 44.4887 20.8327 37.5026 23.4884 37.1293 27.7173 37.1722 14.1786 0.2135
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2.900 24.6589 37.4627 22.9695 34.7046 21.5186 33.6655 21.7871 25.5821 25.7961 28.6184 29.2279 32.9641 12.4597 0.2593
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3.000 35.4095 46.2217 34.4370 40.5773 31.9122 37.1740 33.3340 28.1227 35.3236 36.7689 33.5902 44.2076 22.4985 0.3420
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3.100 18.9295 58.0808 23.7784 54.8790 24.7675 50.0004 29.8269 42.8502 21.5723 48.2977 17.5079 50.7572 30.0957 0.4526
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3.200 10.3543 44.8918 14.1273 44.3791 16.2792 39.8725 20.3922 39.3871 15.3502 38.2408 10.8943 37.1092 24.9204 0.5441
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3.300 16.4763 39.8049 18.9542 42.5696 25.0165 42.3207 20.5094 39.9734 19.5596 37.1114 18.4401 35.2077 20.1775 0.6183
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3.400 26.5097 44.7496 24.9385 47.5598 24.5208 49.4931 23.0825 41.0911 22.9901 41.0840 22.6437 39.7143 19.6383 0.6905
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3.500 27.8994 61.0902 26.1178 60.8659 25.3128 59.1231 24.5028 50.3030 24.7000 50.6825 24.2746 49.2186 25.9908 0.7860
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3.600 13.1038 86.0746 11.3013 85.4046 13.1730 82.9925 14.3946 68.9379 13.3840 69.2952 15.7372 67.1068 38.9955 0.9293
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3.700 -31.2617 81.4488 -32.3856 79.0938 -30.3544 80.8350 -18.4467 65.1409 -17.7347 63.9366 -14.6669 65.9864 41.6108 1.0822
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3.800 -37.2766 46.5382 -39.1768 45.4466 -41.3766 44.8237 -22.0136 38.8379 -19.6663 41.0089 -19.3719 42.6114 31.3203 1.1973
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3.900 -23.9592 38.4213 -27.0063 30.6262 -28.7527 28.6546 -10.2554 31.8893 -9.9757 36.9298 -8.3262 38.9376 27.9086 1.2999
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4.000 -29.0336 43.0910 -17.6757 35.4679 -17.9124 26.8518 -4.7316 40.2050 -12.6245 44.5261 -12.4794 50.8326 35.7642 1.4313
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4.100 -35.1812 32.0752 -28.3209 35.6784 -17.1156 34.9406 -17.9342 47.2413 -22.5665 44.3409 -30.2765 45.2567 37.8911 1.5705
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4.200 -32.0163 19.4238 -30.3374 26.0380 -25.0704 29.3814 -29.6039 35.5258 -30.5013 30.8536 -34.4535 29.0685 27.4963 1.6716
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4.300 -22.9108 15.9727 -25.1210 18.4513 -25.1039 23.8683 -28.2801 23.9582 -27.1226 22.2144 -27.6550 18.7808 20.2278 1.7459
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4.400 -19.8320 18.2343 -20.2563 18.8169 -22.3304 19.8955 -23.4590 18.8723 -22.1904 18.6305 -22.0116 16.6184 24.3270 1.8353
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4.500 -21.3817 19.5078 -22.8158 19.9888 -22.7290 20.3471 -21.8940 18.2341 -21.9537 18.1463 -20.5072 16.7890 29.6542 1.9443
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4.600 -22.2750 14.7294 -22.9132 13.6339 -23.4981 14.2403 -21.1944 13.1302 -20.4583 13.1694 -18.6002 13.5774 27.2343 2.0444
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4.700 -18.7926 13.7215 -18.5984 13.0347 -19.4200 12.4675 -15.9971 11.9208 -15.9127 13.6657 -15.4395 15.4409 29.3655 2.1523
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4.800 -20.6387 14.2833 -19.9253 13.2018 -19.7856 11.9463 -16.1571 14.7368 -18.2942 14.7570 -19.4125 16.1008 35.1901 2.2816
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4.900 -21.1687 10.1719 -19.4617 10.2026 -18.0176 9.1859 -17.3663 12.2331 -18.3691 11.3960 -19.8208 11.4984 31.9089 2.3989
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5.000 -18.6762 7.8165 -17.9276 8.6946 -15.8830 9.1842 -16.4914 11.0493 -16.7143 10.0117 -17.8434 9.1095 29.7625 2.5083
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5.100 -16.6389 6.9889 -16.6352 7.6594 -16.1868 9.0629 -16.3551 9.9182 -16.1635 9.3787 -16.6126 8.1841 32.7265 2.6285
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5.200 -16.0159 7.6322 -15.6823 7.7510 -15.5237 8.2049 -16.5470 9.3842 -15.8472 8.8045 -15.2162 7.5119 31.0572 2.7427
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5.300 -16.6704 5.8837 -16.3653 6.4524 -16.1591 7.1952 -16.9458 6.2222 -16.7147 6.9717 -15.7605 7.4978 25.3337 2.8358
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5.400 -15.0588 4.0166 -15.0895 4.6203 -15.4485 5.3073 -14.8236 4.5073 -15.3783 4.7076 -15.3141 5.0986 25.9227 2.9310
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5.500 -13.5599 3.5683 -14.0300 3.9574 -14.5078 3.8976 -13.6979 3.8536 -13.8798 3.5886 -13.9999 3.8968 29.0659 3.0378
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5.600 -12.9187 3.3415 -13.3226 3.0405 -13.2813 2.7690 -12.8066 2.8429 -12.6767 2.9741 -13.0612 3.1182 23.6650 3.1248
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5.700 -12.2770 2.3678 -12.1273 2.0697 -11.8609 2.0188 -11.4576 1.9694 -11.7236 2.1789 -11.8761 2.1422 14.7448 3.1767
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5.800 -11.0776 1.6662 -10.7930 1.6319 -10.6687 1.7003 -10.1506 1.5535 -10.4312 1.6266 -10.6204 1.6738 10.5057 3.2218
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5.900 -9.9016 1.3943 -9.7617 1.4784 -9.6199 1.4304 -9.0119 1.3822 -9.3048 1.4015 -9.5257 1.4026 10.6452 3.2364
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