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 17.7904 0.0000 17.5259 0.0000 17.0546 0.0000 15.5287 0.0000 15.9254 0.0000 16.1479 0.0000 0.0000 0.0000
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0.100 17.8002 0.0196 17.5354 0.0192 17.0638 0.0185 15.5367 0.0161 15.9337 0.0167 16.1564 0.0170 0.0000 0.0000
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0.200 17.8295 0.0393 17.5642 0.0385 17.0914 0.0371 15.5608 0.0323 15.9588 0.0336 16.1820 0.0342 0.0000 0.0000
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0.300 17.8786 0.0593 17.6124 0.0581 17.1378 0.0560 15.6012 0.0487 16.0007 0.0506 16.2248 0.0516 0.0000 0.0000
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0.400 17.9478 0.0797 17.6803 0.0782 17.2032 0.0753 15.6581 0.0655 16.0599 0.0681 16.2851 0.0695 0.0000 0.0000
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0.500 18.0378 0.1008 17.7686 0.0989 17.2882 0.0952 15.7320 0.0828 16.1368 0.0861 16.3635 0.0878 0.0000 0.0000
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0.600 18.1492 0.1227 17.8779 0.1204 17.3933 0.1159 15.8235 0.1007 16.2319 0.1048 16.4606 0.1069 0.0000 0.0000
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0.700 18.2830 0.1457 18.0090 0.1429 17.5196 0.1375 15.9332 0.1194 16.3461 0.1243 16.5770 0.1268 0.0000 0.0000
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0.800 18.4401 0.1698 18.1632 0.1666 17.6679 0.1603 16.0620 0.1391 16.4802 0.1448 16.7137 0.1477 0.0000 0.0000
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0.900 18.6221 0.1955 18.3417 0.1917 17.8396 0.1844 16.2111 0.1600 16.6353 0.1666 16.8720 0.1699 0.0000 0.0000
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1.000 18.8305 0.2229 18.5461 0.2186 18.0362 0.2102 16.3816 0.1823 16.8128 0.1898 17.0531 0.1936 0.0000 0.0000
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1.100 19.0672 0.2524 18.7782 0.2476 18.2594 0.2380 16.5751 0.2062 17.0143 0.2147 17.2586 0.2191 0.0000 0.0000
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1.200 19.3344 0.2845 19.0404 0.2790 18.5115 0.2682 16.7933 0.2320 17.2416 0.2418 17.4906 0.2467 0.0000 0.0000
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1.300 19.6350 0.3195 19.3352 0.3133 18.7949 0.3011 17.0384 0.2602 17.4970 0.2712 17.7512 0.2768 0.0000 0.0000
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1.400 19.9722 0.3580 19.6658 0.3511 19.1126 0.3374 17.3128 0.2912 17.7831 0.3036 18.0432 0.3099 0.0000 0.0000
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1.500 20.3497 0.4008 20.0361 0.3931 19.4682 0.3776 17.6196 0.3254 18.1031 0.3395 18.3698 0.3465 0.0000 0.0000
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1.600 20.7722 0.4487 20.4504 0.4401 19.8661 0.4225 17.9623 0.3635 18.4607 0.3795 18.7348 0.3874 0.0000 0.0000
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1.700 21.2451 0.5028 20.9142 0.4931 20.3113 0.4732 18.3451 0.4064 18.8604 0.4245 19.1429 0.4335 0.0000 0.0000
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1.800 21.7752 0.5643 21.4340 0.5534 20.8101 0.5308 18.7731 0.4550 19.3076 0.4756 19.5996 0.4857 0.0000 0.0000
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1.900 22.3706 0.6351 22.0179 0.6228 21.3701 0.5971 19.2527 0.5107 19.8090 0.5342 20.1117 0.5457 0.0000 0.0000
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2.000 23.0414 0.7173 22.6758 0.7035 22.0006 0.6740 19.7915 0.5751 20.3727 0.6020 20.6876 0.6151 0.0000 0.0000
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2.100 23.8002 0.8140 23.4200 0.7983 22.7135 0.7644 20.3991 0.6504 21.0090 0.6815 21.3378 0.6965 0.0000 0.0000
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2.200 24.6629 0.9292 24.2663 0.9114 23.5236 0.8721 21.0875 0.7397 21.7307 0.7759 22.0754 0.7932 0.0000 0.0000
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2.300 25.6502 1.0686 25.2347 1.0483 24.4500 1.0022 21.8723 0.8472 22.5542 0.8897 22.9173 0.9097 0.0000 0.0000
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2.400 26.7889 1.2402 26.3519 1.2170 25.5177 1.1624 22.7735 0.9787 23.5011 1.0292 23.8857 1.0527 0.0000 0.0000
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2.500 28.1152 1.4561 27.6535 1.4293 26.7604 1.3636 23.8182 1.1430 24.6003 1.2039 25.0101 1.2318 0.0000 0.0000
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2.600 29.6790 1.7345 29.1886 1.7033 28.2243 1.6228 25.0433 1.3535 25.8914 1.4282 26.3313 1.4618 0.0000 0.0000
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2.700 31.5512 2.1050 31.0275 2.0686 29.9754 1.9676 26.5011 1.6316 27.4306 1.7253 27.9069 1.7666 0.0000 0.0000
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2.800 33.8367 2.6184 33.2739 2.5754 32.1111 2.4446 28.2685 2.0138 29.3009 2.1348 29.8222 2.1870 0.0000 0.0000
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2.900 36.6984 3.3681 36.0892 3.3174 34.7821 3.1403 30.4640 2.5669 31.6301 2.7295 32.2086 2.7981 0.0000 0.0000
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3.000 40.4023 4.5453 39.7381 4.4860 38.2349 4.2297 33.2803 3.4271 34.6270 3.6580 35.2808 3.7538 0.0030 0.0000
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3.100 45.4064 6.5967 44.6768 6.5303 42.8943 6.1190 37.0471 4.9096 38.6504 5.2653 39.4071 5.4143 0.0924 0.0004
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3.200 52.4822 10.7762 51.6716 10.7153 49.4885 9.9315 42.3179 7.8921 44.3085 8.5132 45.2041 8.7952 1.1818 0.0047
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3.300 61.9470 21.3539 60.9831 21.3082 58.5504 19.4745 49.3382 15.2998 51.9553 16.6703 52.8737 17.3685 6.5571 0.0288
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3.400 62.0033 46.4438 61.6175 46.6741 60.3622 43.9097 51.1035 32.8392 52.8762 37.0613 52.5327 37.4332 16.3637 0.0889
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3.500 37.2839 57.4654 32.9120 58.1541 32.3418 57.2819 32.7609 44.5967 30.6959 45.4145 32.1096 44.7253 19.7159 0.1614
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3.600 23.1025 50.6656 20.7974 47.2421 20.5893 44.5204 19.8406 37.5308 22.4676 37.1584 26.6806 37.2018 14.1786 0.2135
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3.700 23.5369 37.4947 21.8659 34.7360 20.4477 33.6959 20.8225 25.6092 24.8038 28.6463 28.2201 32.9925 12.4597 0.2593
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3.800 34.3188 46.2523 33.3641 40.6074 30.8710 37.2031 32.3959 28.1486 34.3586 36.7957 32.6102 44.2348 22.4985 0.3420
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3.900 17.8687 58.1102 22.7349 54.9079 23.7547 50.0283 28.9142 42.8751 20.6335 48.3233 16.5545 50.7833 30.0957 0.4526
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4.000 9.3222 44.9199 13.1120 44.4068 15.2938 39.8992 19.5037 39.4109 14.4364 38.2655 9.9665 37.1342 24.9204 0.5441
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4.100 15.4717 39.8319 17.9660 42.5961 24.0573 42.3464 19.6443 39.9963 18.6699 37.1351 17.5368 35.2317 20.1775 0.6183
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4.200 25.5316 44.7756 23.9762 47.5853 23.5867 49.5177 22.2398 41.1131 22.1236 41.1067 21.7639 39.7374 19.6383 0.6905
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4.300 26.9467 61.1152 25.1805 60.8904 24.4029 59.1468 23.6817 50.3241 23.8558 50.7043 23.4174 49.2407 25.9908 0.7860
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4.400 12.1755 86.0986 10.3880 85.4281 12.2863 83.0153 13.5942 68.9582 12.5611 69.3162 14.9017 67.1282 38.9955 0.9293
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4.500 -32.1665 81.4719 -33.2758 79.1165 -31.2188 80.8570 -19.2272 65.1605 -18.5370 63.9568 -15.4814 66.0069 41.6108 1.0822
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4.600 -38.1589 46.5603 -40.0449 45.4684 -42.2194 44.8448 -22.7749 38.8567 -20.4488 41.0283 -20.1663 42.6312 31.3203 1.1973
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4.700 -24.8196 38.4426 -27.8530 30.6472 -29.5749 28.6749 -10.9982 31.9075 -10.7392 36.9485 -9.1012 38.9566 27.9086 1.2999
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4.800 -29.8732 43.1116 -18.5018 35.4881 -18.7147 26.8714 -5.4566 40.2225 -13.3697 44.5441 -13.2358 50.8509 35.7642 1.4313
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4.900 -36.0006 32.0951 -29.1271 35.6979 -17.8986 34.9595 -18.6420 47.2582 -23.2939 44.3583 -31.0149 45.2744 37.8911 1.5705
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5.000 -32.8162 19.4429 -31.1246 26.0568 -25.8349 29.3996 -30.2952 35.5421 -31.2116 30.8704 -35.1745 29.0855 27.4963 1.6716
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5.100 -23.6920 15.9911 -25.8898 18.4694 -25.8506 23.8858 -28.9554 23.9739 -27.8165 22.2306 -28.3592 18.7972 20.2278 1.7459
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5.200 -20.5951 18.2521 -21.0073 18.8343 -23.0598 19.9124 -24.1188 18.8875 -22.8684 18.6462 -22.6997 16.6343 24.3270 1.8353
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5.300 -22.1273 19.5250 -23.5496 20.0057 -23.4418 20.3634 -22.5390 18.2487 -22.6163 18.1614 -21.1797 16.8044 29.6542 1.9443
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5.400 -23.0037 14.7460 -23.6304 13.6502 -24.1949 14.2561 -21.8250 13.1444 -21.1061 13.1839 -19.2576 13.5922 27.2343 2.0444
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5.500 -19.5051 13.7376 -19.2996 13.0505 -20.1012 12.4828 -16.6137 11.9345 -16.5461 13.6798 -16.0824 15.4553 29.3655 2.1523
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5.600 -21.3354 14.2987 -20.6110 13.2171 -20.4518 11.9610 -16.7603 14.7501 -18.9138 14.7706 -20.0413 16.1146 35.1901 2.2816
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5.700 -21.8502 10.1869 -20.1325 10.2174 -18.6693 9.2002 -17.9565 12.2459 -18.9753 11.4092 -20.4359 11.5118 31.9089 2.3940
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5.800 -19.3430 7.8310 -18.5839 8.7088 -16.5207 9.1981 -17.0690 11.0617 -17.3075 10.0244 -18.4454 9.1225 29.7625 2.5216
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5.900 -17.2914 7.0029 -17.2775 7.6732 -16.8109 9.0763 -16.9205 9.9302 -16.7442 9.3910 -17.2018 8.1967 32.7265 2.5667
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