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 46.6182 0.0000 45.5721 0.0000 43.6854 0.0000 38.4929 0.0000 39.8902 0.0000 40.5497 0.0000
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0.100 46.6642 0.0927 45.6169 0.0903 43.7277 0.0851 38.5286 0.0719 39.9278 0.0754 40.5878 0.0766
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0.200 46.8031 0.1865 45.7522 0.1817 43.8553 0.1714 38.6364 0.1448 40.0408 0.1518 40.7025 0.1541
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0.300 47.0365 0.2828 45.9795 0.2755 44.0697 0.2598 38.8176 0.2195 40.2308 0.2302 40.8953 0.2336
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0.400 47.3675 0.3829 46.3019 0.3729 44.3737 0.3516 39.0744 0.2969 40.5002 0.3115 41.1687 0.3161
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0.500 47.8006 0.4882 46.7237 0.4755 44.7714 0.4482 39.4102 0.3783 40.8524 0.3969 41.5262 0.4028
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0.600 48.3416 0.6004 47.2506 0.5847 45.2681 0.5511 39.8294 0.4649 41.2922 0.4878 41.9724 0.4949
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0.700 48.9983 0.7213 47.8903 0.7025 45.8708 0.6618 40.3377 0.5579 41.8256 0.5855 42.5136 0.5940
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0.800 49.7805 0.8533 48.6521 0.8311 46.5884 0.7826 40.9424 0.6592 42.4603 0.6920 43.1575 0.7019
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0.900 50.7003 0.9990 49.5479 0.9730 47.4319 0.9159 41.6526 0.7707 43.2059 0.8093 43.9136 0.8206
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1.000 51.7728 1.1619 50.5925 1.1317 48.4149 1.0646 42.4795 0.8949 44.0743 0.9399 44.7941 0.9529
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1.100 53.0168 1.3460 51.8042 1.3111 49.5545 1.2325 43.4370 1.0348 45.0802 1.0873 45.8137 1.1020
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1.200 54.4557 1.5568 53.2058 1.5165 50.8718 1.4246 44.5424 1.1944 46.2419 1.2556 46.9909 1.2720
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1.300 56.1189 1.8012 54.8260 1.7546 52.3933 1.6470 45.8174 1.3787 47.5824 1.4500 48.3487 1.4683
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1.400 58.0435 2.0883 56.7008 2.0345 54.1525 1.9079 47.2892 1.5944 49.1305 1.6777 49.9161 1.6980
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1.500 60.2767 2.4305 58.8766 2.3682 56.1921 2.2183 48.9925 1.8504 50.9232 1.9483 51.7301 1.9706
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1.600 62.8797 2.8446 61.4130 2.7723 58.5670 2.5936 50.9720 2.1589 53.0079 2.2746 53.8381 2.2989
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1.700 65.9328 3.3547 64.3887 3.2701 61.3495 3.0549 53.2863 2.5371 55.4468 2.6751 56.3023 2.7012
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1.800 69.5437 3.9951 67.9088 3.8957 64.6361 3.6332 56.0135 3.0098 58.3230 3.1761 59.2057 3.2036
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1.900 73.8592 4.8175 72.1175 4.6998 68.5588 4.3744 59.2599 3.6138 61.7499 3.8173 62.6608 3.8449
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2.000 79.0859 5.9017 77.2173 5.7612 73.3022 5.3497 63.1744 4.4061 65.8863 4.6594 66.8252 4.6851
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2.100 85.5221 7.3770 83.5016 7.2078 79.1330 6.6737 67.9715 5.4786 70.9613 5.8013 71.9253 5.8203
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2.200 93.6159 9.4639 91.4115 9.2584 86.4506 8.5419 73.9720 6.9878 77.3178 7.4111 78.2986 7.4138
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2.300 104.0687 12.5648 101.6398 12.3138 95.8791 11.3093 81.6762 9.2184 85.4922 9.7954 86.4705 9.7608
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2.400 118.0359 17.4768 115.3307 17.1722 108.4439 15.6762 91.9060 12.7332 96.3664 13.5625 97.3002 13.4409
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2.500 137.5283 25.9620 134.4814 25.6094 125.9252 23.1810 106.0870 18.7746 111.4736 20.0601 112.2727 19.7217
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2.600 166.1858 42.5244 162.7118 42.2029 151.5470 37.7203 126.7928 30.5161 133.5824 32.7476 134.0678 31.7979
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2.700 209.8749 81.1176 205.7569 81.2776 190.6392 71.2176 158.1575 57.7895 167.0838 62.4111 167.1198 59.3997
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2.800 260.9845 193.1805 253.9912 195.8242 239.0614 167.6114 194.7023 136.8397 204.9451 148.8304 208.3385 138.2579
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2.900 109.5104 419.6965 86.6713 413.5319 120.7000 384.6130 87.8687 295.3547 82.8226 312.7663 115.9908 315.9750
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3.000 -128.3133 261.8525 -134.4597 238.3615 -131.9140 246.4375 -76.2791 180.1077 -77.4292 189.2724 -84.6563 211.2027
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3.100 -112.3576 152.1496 -97.1602 128.2309 -98.7028 114.5659 -46.4854 103.8154 -61.0154 117.6486 -66.0398 118.1492
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3.200 -87.6666 88.2650 -75.6125 90.9777 -59.4738 83.5465 -35.2118 91.9248 -45.4759 81.4808 -48.8059 81.0274
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3.300 -40.5977 69.7279 -40.7282 68.1635 -36.4544 69.8860 -32.7061 72.1363 -24.3274 66.7726 -16.6704 63.5368
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3.400 -11.3038 104.9722 -8.6475 91.8514 -6.4065 83.8912 -10.7804 71.2806 0.5513 81.5153 14.4964 89.0295
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3.500 -77.9500 126.5717 -57.8794 125.7706 -44.0230 120.9281 -27.0817 81.0929 -34.9555 103.6498 -35.2471 132.9826
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3.600 -87.5511 64.9972 -78.9816 71.8553 -67.8669 73.5218 -25.6481 66.5358 -44.4819 71.0151 -64.1412 80.5959
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3.700 -61.9877 43.3720 -57.4653 51.7159 -47.2302 55.9596 -18.7476 72.1159 -31.7928 65.0525 -48.3436 64.3100
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3.800 -42.1577 43.5147 -44.9424 50.3586 -40.3470 63.6635 -35.9696 76.5418 -38.7428 70.0069 -49.1016 56.2906
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3.900 -39.7214 65.7930 -46.2286 66.5882 -52.2155 68.6926 -49.6671 70.9293 -49.8138 66.1800 -44.0612 58.8017
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4.000 -70.2900 50.8548 -70.2180 46.5305 -70.4579 46.3099 -63.5423 44.9485 -61.8327 42.9437 -59.4873 43.6731
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4.100 -59.9615 28.2718 -57.8990 26.6361 -57.5073 26.2418 -49.3304 25.5060 -47.7989 26.5937 -46.6647 27.3284
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4.200 -49.9791 22.2967 -48.6921 22.2938 -47.6263 22.1683 -36.6428 21.0652 -37.4123 23.8329 -37.2333 27.1872
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4.300 -41.5448 19.8960 -40.9458 18.2534 -39.9883 17.9612 -27.1330 21.8715 -29.9766 24.3776 -32.9424 26.4231
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4.400 -37.4261 23.6630 -34.0080 20.2613 -33.3060 18.6584 -20.9006 29.5311 -26.2452 31.0928 -28.6563 31.5162
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4.500 -42.9538 19.4573 -36.8268 23.2197 -31.2789 21.7339 -32.7691 37.2624 -37.2598 31.1947 -41.4780 31.4511
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4.600 -37.5931 10.8028 -37.7443 14.2628 -35.2740 18.3322 -39.7325 22.0458 -38.9735 19.6926 -40.7953 16.6459
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4.700 -30.2181 7.9188 -30.6961 9.1569 -30.8383 11.4503 -32.7683 12.8950 -32.4844 11.8718 -32.4685 10.1292
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4.800 -23.4214 7.6300 -23.4780 8.1703 -23.5856 9.0733 -24.7191 9.6085 -24.7374 9.0903 -24.7476 8.3572
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4.900 -16.7264 9.9330 -16.3029 10.2184 -15.9613 10.6436 -16.9725 10.4824 -17.2138 9.9982 -17.5931 9.4631
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5.000 -12.9441 17.2647 -11.1961 18.3999 -9.8104 18.6934 -11.7941 17.0274 -11.6287 16.2151 -12.3404 14.7038
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5.100 -18.4456 20.1914 -19.6873 24.0257 -18.6150 28.3410 -17.7922 20.8225 -16.7459 21.2768 -14.1361 19.8991
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5.200 -14.6333 18.3574 -18.9906 19.9622 -22.7834 23.0284 -14.8049 16.4201 -14.8038 18.2396 -12.8600 20.9472
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5.300 -13.7583 26.8861 -18.9959 21.8600 -24.8333 19.0578 -10.5823 21.8508 -12.0288 22.7228 -13.5192 24.2131
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5.400 -20.2808 30.7429 -17.9243 23.5927 -19.2737 16.5787 -11.9530 28.5096 -14.1694 31.3858 -15.3201 34.2366
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5.500 -29.7787 31.9911 -23.1327 31.2578 -15.0545 24.3945 -20.8168 36.1946 -27.0800 32.2168 -31.6557 31.0348
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5.600 -40.8255 22.8838 -37.3861 26.8285 -31.2626 33.2550 -38.1617 29.7700 -35.4288 26.6868 -36.3190 23.8972
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5.700 -38.2621 10.9421 -38.7645 13.1962 -39.5270 16.6020 -38.7595 15.3344 -38.0289 14.9845 -37.5036 13.6050
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5.800 -33.1439 5.9180 -33.6518 6.6798 -34.4383 7.8127 -33.9199 7.7184 -33.6226 7.4821 -33.1812 6.9598
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5.900 -29.0993 3.8108 -29.3458 4.1191 -29.7485 4.5760 -29.2288 4.5930 -29.1021 4.4522 -28.8675 4.2232
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