mirror of https://github.com/abinit/abinit.git
79 lines
9.4 KiB
Plaintext
79 lines
9.4 KiB
Plaintext
# GW Macroscopic dielectric function without local field effects
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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) ) ... DOS IDOS
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0.000 38.0494 0.0000 37.2269 0.0000 35.8190 0.0000 31.7755 0.0000 32.8564 0.0000 33.4225 0.0000 0.0000 0.0000
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0.100 38.0738 0.0491 37.2508 0.0478 35.8417 0.0456 31.7949 0.0390 32.8767 0.0407 33.4432 0.0415 0.0000 0.0000
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0.200 38.1474 0.0985 37.3225 0.0961 35.9100 0.0915 31.8533 0.0783 32.9377 0.0818 33.5055 0.0834 0.0000 0.0000
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0.300 38.2706 0.1489 37.4427 0.1452 36.0245 0.1382 31.9512 0.1182 33.0400 0.1235 33.6098 0.1260 0.0000 0.0000
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0.400 38.4447 0.2005 37.6124 0.1955 36.1861 0.1862 32.0894 0.1591 33.1844 0.1663 33.7571 0.1696 0.0000 0.0000
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0.500 38.6710 0.2539 37.8331 0.2476 36.3963 0.2357 32.2690 0.2014 33.3721 0.2105 33.9486 0.2147 0.0000 0.0000
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0.600 38.9517 0.3096 38.1068 0.3018 36.6568 0.2874 32.4917 0.2455 33.6048 0.2566 34.1859 0.2617 0.0000 0.0000
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0.700 39.2892 0.3681 38.4358 0.3589 36.9702 0.3417 32.7592 0.2917 33.8845 0.3050 34.4713 0.3111 0.0000 0.0000
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0.800 39.6866 0.4301 38.8234 0.4194 37.3391 0.3992 33.0742 0.3407 34.2138 0.3562 34.8072 0.3634 0.0000 0.0000
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0.900 40.1480 0.4964 39.2733 0.4840 37.7673 0.4607 33.4395 0.3929 34.5958 0.4108 35.1968 0.4191 0.0000 0.0000
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1.000 40.6778 0.5678 39.7899 0.5537 38.2589 0.5268 33.8586 0.4489 35.0341 0.4696 35.6440 0.4791 0.0000 0.0000
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1.100 41.2815 0.6453 40.3786 0.6292 38.8190 0.5986 34.3358 0.5097 35.5333 0.5333 36.1533 0.5441 0.0000 0.0000
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1.200 41.9659 0.7301 41.0459 0.7119 39.4538 0.6771 34.8761 0.5760 36.0987 0.6029 36.7302 0.6151 0.0000 0.0000
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1.300 42.7388 0.8237 41.7996 0.8032 40.1705 0.7637 35.4856 0.6490 36.7367 0.6795 37.3812 0.6933 0.0000 0.0000
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1.400 43.6098 0.9278 42.6488 0.9047 40.9779 0.8600 36.1714 0.7300 37.4549 0.7645 38.1140 0.7802 0.0000 0.0000
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1.500 44.5901 1.0445 43.6047 1.0186 41.8865 0.9679 36.9423 0.8206 38.2624 0.8598 38.9380 0.8775 0.0000 0.0000
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1.600 45.6936 1.1767 44.6808 1.1475 42.9089 1.0900 37.8086 0.9228 39.1702 0.9673 39.8646 0.9874 0.0000 0.0000
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1.700 46.9371 1.3277 45.8935 1.2948 44.0607 1.2295 38.7830 1.0392 40.1919 1.0900 40.9075 1.1127 0.0000 0.0000
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1.800 48.3412 1.5020 47.2628 1.4649 45.3606 1.3904 39.8811 1.1732 41.3439 1.2312 42.0835 1.2571 0.0000 0.0000
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1.900 49.9313 1.7054 48.8136 1.6634 46.8323 1.5780 41.1219 1.3289 42.6465 1.3956 43.4135 1.4252 0.0000 0.0000
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2.000 51.7395 1.9455 50.5773 1.8979 48.5051 1.7995 42.5295 1.5121 44.1251 1.5893 44.9236 1.6233 0.0000 0.0000
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2.100 53.8062 2.2328 52.5935 2.1785 50.4164 2.0643 44.1340 1.7304 45.8121 1.8204 46.6469 1.8599 0.0000 0.0000
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2.200 56.1839 2.5818 54.9135 2.5195 52.6143 2.3859 45.9745 1.9944 47.7490 2.1004 48.6261 2.1468 0.0000 0.0000
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2.300 58.9413 3.0128 57.6046 2.9410 55.1619 2.7830 48.1019 2.3192 49.9903 2.4454 50.9172 2.5006 0.0000 0.0000
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2.400 62.1705 3.5562 60.7571 3.4728 58.1442 3.2834 50.5842 2.7266 52.6089 2.8792 53.5954 2.9460 0.0000 0.0000
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2.500 65.9981 4.2575 64.4956 4.1599 61.6777 3.9292 53.5145 3.2496 55.7048 3.4375 56.7638 3.5202 0.0000 0.0000
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2.600 70.6034 5.1889 68.9962 5.0737 65.9271 4.7868 57.0239 3.9403 59.4194 4.1771 60.5688 4.2827 0.0000 0.0000
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2.700 76.2488 6.4707 74.5175 6.3333 71.1343 5.9669 61.3033 4.8846 63.9592 5.1923 65.2248 5.3323 0.0000 0.0000
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2.800 83.3353 8.3162 81.4552 8.1508 77.6682 7.6659 66.6429 6.2340 69.6395 6.6498 71.0605 6.8460 0.0000 0.0000
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2.900 92.5055 11.1355 90.4454 10.9350 86.1208 10.2604 73.5046 8.2773 76.9649 8.8702 78.6044 9.1666 0.0003 0.0000
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3.000 104.8487 15.8042 102.5682 15.5629 97.4954 14.5525 82.6661 11.6254 86.7894 12.5358 88.7562 13.0340 0.0232 0.0001
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3.100 122.2973 24.4757 119.7422 24.2015 113.5771 22.5019 95.4982 17.7632 100.6290 19.3166 103.1170 20.2927 0.6884 0.0026
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3.200 148.0553 43.5393 145.1110 43.3197 137.3956 39.8648 114.2655 31.0411 121.0327 34.1351 124.3051 36.5094 8.3263 0.0332
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3.300 180.9179 95.6392 176.7923 95.5343 169.0672 87.1680 138.2478 66.3714 147.7289 74.4467 150.4704 81.7124 42.4424 0.1892
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3.400 145.8533 211.6783 143.9137 211.4727 140.1600 203.5920 126.1803 144.3370 123.5232 171.5338 108.9771 179.9568 92.9901 0.5309
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3.500 -7.1882 210.1992 -20.6746 203.3200 -16.8070 194.7331 13.9192 174.6960 -9.4496 161.4485 -12.3817 145.2871 87.4439 0.8523
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3.600 -22.2733 103.7974 -25.7488 95.5537 -27.8361 92.3067 -18.6072 87.1773 -10.7827 77.0250 -2.4364 70.8392 36.8484 0.9877
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3.700 27.0271 79.4084 21.6741 70.6047 15.7940 63.4860 17.4558 58.8995 28.1796 59.4751 36.6817 57.9338 24.3854 1.0773
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3.800 59.5007 123.5766 57.6366 104.2225 54.1271 85.9068 45.2483 81.7407 54.5790 90.3266 66.1627 90.1952 59.9493 1.2976
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3.900 -17.3419 165.6138 4.6391 153.9110 20.4721 143.9760 5.8094 108.2487 9.2821 124.3803 23.2025 143.3294 79.3182 1.5891
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4.000 -37.7032 94.0287 -25.0255 99.5451 -17.5676 96.1228 2.0057 71.8070 -7.1565 81.8321 -13.6235 98.4757 57.3419 1.7998
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4.100 1.1339 83.5779 6.0180 93.8899 17.2524 92.4856 26.2407 82.0118 20.1707 86.8192 3.1147 93.1710 57.4819 2.0111
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4.200 10.7492 135.6235 -0.8942 146.2565 1.3331 150.8184 12.7051 127.6181 0.2279 130.4624 -5.3506 122.0691 72.2671 2.2766
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4.300 -75.3280 129.3571 -81.3475 117.1014 -81.6033 116.3762 -60.0989 107.7359 -61.4484 99.0273 -59.7644 95.5973 61.9412 2.5043
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4.400 -68.5207 77.1508 -65.0361 67.4804 -64.4232 62.8471 -50.0238 60.7383 -46.4504 61.0131 -43.1750 59.5240 66.3323 2.7480
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4.500 -64.3606 64.4095 -55.7126 64.0528 -47.9059 62.3584 -41.7625 51.7384 -38.9616 56.0676 -32.5872 61.0657 91.4334 3.0841
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4.600 -53.7733 47.8662 -56.0680 47.1344 -56.3640 48.9815 -32.5319 38.3406 -34.2814 44.0280 -35.1892 51.0198 80.2018 3.3788
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4.700 -40.4264 48.9838 -38.9792 37.1841 -41.3119 31.6977 -15.5188 35.2044 -18.9779 44.4442 -19.8509 51.0386 51.0446 3.5664
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4.800 -54.5462 50.5379 -31.7207 50.9217 -22.2027 35.3548 -5.0574 54.5151 -22.9003 54.5020 -31.8617 66.8354 46.1279 3.7359
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4.900 -49.6413 29.5513 -47.6233 41.4870 -28.0867 53.7322 -29.8110 66.4573 -32.5309 57.8838 -48.0879 48.9311 43.4035 3.8954
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5.000 -35.4597 21.7682 -37.0237 26.0289 -37.7058 35.6688 -41.2041 40.1100 -40.8050 36.9907 -40.7871 29.8931 23.8610 3.9831
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5.100 -19.0106 23.5632 -19.4517 25.4916 -20.4488 29.2328 -23.7419 28.7163 -23.9062 27.3923 -23.5056 24.9091 18.3908 4.0507
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5.200 -5.0250 41.6763 -3.7472 43.7252 -3.8254 46.8921 -6.7265 40.2267 -7.2665 39.0158 -8.3920 37.3065 57.9515 4.2636
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5.300 -28.9580 69.0966 -30.8671 77.5693 -31.7433 82.0138 -23.8988 67.5650 -24.2183 65.3926 -23.3180 58.6568 96.5938 4.6186
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5.400 -47.7737 44.8141 -57.8102 45.3606 -64.6491 47.6728 -45.3079 43.6404 -41.0659 43.3490 -33.2817 43.3193 77.3374 4.9028
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5.500 -39.3937 42.8598 -46.0047 32.8672 -52.5543 27.9772 -32.1683 36.6508 -30.3634 43.9204 -28.1501 52.4003 74.7686 5.1776
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5.600 -54.4044 41.6574 -47.7084 33.2336 -47.0429 24.1226 -41.5552 46.8489 -50.3531 48.9476 -54.9469 53.0915 80.5546 5.4736
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5.700 -52.6668 24.7317 -45.6440 23.8748 -40.1166 18.5560 -47.5680 30.3187 -52.3442 27.1822 -58.0340 26.9073 53.5039 5.6621
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5.800 -49.0355 22.9659 -44.4913 25.5799 -34.1330 25.0680 -45.3052 28.8408 -45.9713 23.1883 -48.2693 19.4793 42.9508 5.8462
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5.900 -50.6670 14.7107 -49.4493 18.7117 -47.3017 25.4514 -50.6230 19.0083 -48.2760 18.4959 -48.0936 16.1722 33.0198 5.8917
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