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 18.9504 0.0000 18.6389 0.0000 18.1147 0.0000 16.5431 0.0000 16.9834 0.0000 17.2527 0.0000
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0.100 18.9623 0.0238 18.6505 0.0232 18.1258 0.0223 16.5528 0.0196 16.9936 0.0204 17.2631 0.0209
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0.200 18.9979 0.0478 18.6853 0.0466 18.1592 0.0447 16.5822 0.0393 17.0241 0.0410 17.2944 0.0420
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0.300 19.0577 0.0722 18.7436 0.0705 18.2151 0.0676 16.6313 0.0594 17.0754 0.0619 17.3470 0.0634
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0.400 19.1420 0.0972 18.8260 0.0949 18.2941 0.0910 16.7007 0.0799 17.1478 0.0834 17.4211 0.0854
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0.500 19.2518 0.1231 18.9331 0.1202 18.3968 0.1152 16.7910 0.1012 17.2419 0.1055 17.5176 0.1082
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0.600 19.3879 0.1501 19.0660 0.1466 18.5241 0.1405 16.9028 0.1233 17.3585 0.1286 17.6371 0.1318
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0.700 19.5515 0.1786 19.2258 0.1743 18.6773 0.1670 17.0372 0.1465 17.4987 0.1529 17.7808 0.1567
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0.800 19.7444 0.2087 19.4140 0.2037 18.8576 0.1951 17.1954 0.1711 17.6639 0.1786 17.9501 0.1831
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0.900 19.9683 0.2409 19.6325 0.2352 19.0669 0.2252 17.3789 0.1974 17.8554 0.2061 18.1465 0.2113
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1.000 20.2254 0.2757 19.8835 0.2691 19.3072 0.2576 17.5895 0.2256 18.0753 0.2356 18.3719 0.2416
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1.100 20.5187 0.3135 20.1696 0.3059 19.5812 0.2928 17.8293 0.2561 18.3257 0.2676 18.6287 0.2744
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1.200 20.8512 0.3549 20.4941 0.3462 19.8916 0.3312 18.1008 0.2895 18.6094 0.3026 18.9197 0.3104
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1.300 21.2269 0.4006 20.8606 0.3908 20.2423 0.3737 18.4071 0.3262 18.9297 0.3411 19.2483 0.3500
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1.400 21.6506 0.4515 21.2739 0.4404 20.6374 0.4209 18.7519 0.3670 19.2902 0.3840 19.6183 0.3941
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1.500 22.1278 0.5088 21.7394 0.4961 21.0822 0.4740 19.1394 0.4126 19.6959 0.4320 20.0346 0.4434
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1.600 22.6655 0.5737 22.2637 0.5593 21.5829 0.5340 19.5751 0.4641 20.1521 0.4863 20.5030 0.4993
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1.700 23.2719 0.6480 22.8549 0.6317 22.1473 0.6027 20.0652 0.5229 20.6658 0.5483 21.0305 0.5631
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1.800 23.9575 0.7340 23.5232 0.7154 22.7846 0.6820 20.6178 0.5905 21.2454 0.6198 21.6258 0.6367
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1.900 24.7350 0.8347 24.2810 0.8134 23.5068 0.7747 21.2425 0.6693 21.9013 0.7031 22.2997 0.7226
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2.000 25.6206 0.9540 25.1439 0.9295 24.3283 0.8844 21.9515 0.7621 22.6465 0.8015 23.0656 0.8239
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2.100 26.6348 1.0973 26.1319 1.0689 25.2681 1.0159 22.7604 0.8729 23.4976 0.9192 23.9407 0.9453
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2.200 27.8043 1.2723 27.2711 1.2391 26.3503 1.1762 23.6892 1.0073 24.4762 1.0623 24.9472 1.0929
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2.300 29.1646 1.4898 28.5957 1.4508 27.6071 1.3751 24.7642 1.1733 25.6105 1.2394 26.1143 1.2755
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2.400 30.7634 1.7661 30.1525 1.7197 29.0818 1.6272 26.0207 1.3826 26.9386 1.4632 27.4813 1.5064
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2.500 32.6671 2.1262 32.0061 2.0703 30.8346 1.9550 27.5077 1.6531 28.5133 1.7533 29.1028 1.8057
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2.600 34.9711 2.6107 34.2495 2.5424 32.9516 2.3951 29.2947 2.0139 30.4100 2.1414 31.0565 2.2061
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2.700 37.8174 3.2888 37.0214 3.2042 35.5608 3.0096 31.4845 2.5140 32.7405 2.6813 33.4577 2.7630
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2.800 41.4273 4.2884 40.5384 4.1816 38.8616 3.9131 34.2362 3.2434 35.6780 3.4721 36.4850 3.5783
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2.900 46.1642 5.8677 45.1572 5.7309 43.1811 5.3368 37.8093 4.3826 39.5063 4.7133 40.4308 4.8572
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3.000 52.6585 8.6188 51.4974 8.4430 49.0854 7.8085 42.6498 6.3425 44.7152 6.8610 45.7989 7.0684
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3.100 62.0117 14.1497 60.6382 13.9375 57.5686 12.7558 49.5332 10.2316 52.1588 11.1516 53.4682 11.4832
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3.200 75.3523 27.8332 73.5782 27.6667 69.7299 24.9338 59.2495 19.7245 62.7203 21.7093 64.3569 22.3562
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3.300 80.7386 65.2657 77.4521 64.5637 75.4319 59.0630 63.8486 44.9537 67.3798 50.5754 68.7758 52.5301
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3.400 35.5267 91.0173 32.6770 88.4891 33.8845 82.1139 36.8883 66.5852 31.8785 70.5870 32.7446 68.6508
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3.500 13.5967 70.7969 9.9979 66.4870 10.5404 64.9622 14.5431 54.1399 16.0192 53.6080 20.9758 55.0459
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3.600 3.2250 59.8442 3.8283 53.3245 4.3991 50.9276 9.3103 40.7747 12.7780 44.8733 17.7169 52.0907
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3.700 11.0798 51.3001 14.1910 43.2549 13.3343 38.1858 20.5964 33.4860 21.6645 42.7265 21.0682 53.7203
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3.800 4.2516 58.3610 15.2993 58.4354 22.0435 52.3593 25.4097 48.4099 15.2071 56.7426 3.1742 61.9694
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3.900 -4.0593 50.8081 -1.8143 55.6405 2.8993 56.1950 9.7659 54.0877 -0.2484 49.5556 -7.3259 47.0541
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4.000 -2.9979 42.2819 -2.0292 44.9257 3.1537 45.5847 3.7983 47.2534 1.7787 41.6277 -1.7878 36.5052
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4.100 4.0019 41.2284 2.5736 44.1250 2.8440 49.8591 1.3371 43.6586 3.1070 41.4587 4.3018 38.3413
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4.200 5.8120 50.6791 2.6149 49.6742 0.2270 49.5996 2.8727 44.4461 3.9113 43.3770 4.5818 42.4399
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4.300 2.1217 60.7190 1.2668 59.5089 1.3104 58.0753 2.9181 50.4917 3.8960 52.1353 4.4977 50.5901
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4.400 -21.2439 65.4318 -22.2085 63.5757 -22.0907 63.3925 -14.0622 54.1186 -14.3312 54.6960 -12.0536 55.2910
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4.500 -33.5179 49.1942 -35.0691 45.8100 -36.3617 45.4842 -22.4077 41.1879 -21.0605 42.5069 -20.0978 44.7173
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4.600 -31.9376 41.4495 -29.2999 33.3085 -30.9803 28.5230 -16.2802 33.6472 -18.6985 40.4442 -19.0739 43.7717
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4.700 -40.4829 33.1791 -29.0063 34.9957 -22.2350 27.8613 -17.3435 41.5988 -26.1122 37.8023 -30.9726 42.4597
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4.800 -36.2350 19.2895 -35.2313 24.4460 -28.5616 30.7080 -31.7830 36.0964 -31.8360 31.8636 -36.6372 26.6061
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4.900 -30.3313 14.3899 -29.8639 16.1104 -30.0481 19.1885 -32.4429 21.4475 -31.8877 19.5793 -30.9542 17.3385
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5.000 -25.0686 10.5651 -25.3235 12.8488 -24.7152 14.5435 -26.9432 14.7339 -25.8613 13.5022 -26.4052 12.6444
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5.100 -19.6319 10.9917 -20.5712 11.6256 -21.3356 13.4569 -22.0875 12.2215 -21.2228 11.8313 -21.2601 10.6910
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5.200 -18.2352 12.6885 -17.9204 13.5182 -19.2102 13.4955 -19.2606 11.8622 -18.0984 12.4491 -18.1316 11.0268
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5.300 -19.4062 13.0311 -20.5543 13.4702 -20.4194 13.5011 -18.9573 11.6690 -19.1778 12.2120 -17.7544 11.1843
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5.400 -19.0263 10.4159 -19.1639 9.9079 -19.5639 10.0758 -17.4263 8.8471 -17.2487 9.3920 -15.9989 10.2131
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5.500 -17.5637 10.6609 -17.5496 10.3679 -17.6428 9.6950 -14.2277 9.5439 -15.3825 10.8866 -15.8480 11.8256
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5.600 -19.0317 9.2463 -18.4156 8.9649 -17.9988 8.4178 -15.9760 10.6450 -17.3601 9.7104 -18.1328 10.0485
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5.700 -18.0113 6.4755 -17.3346 6.9917 -16.2330 6.6674 -16.0522 8.3530 -16.2985 7.4909 -17.0747 7.0830
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5.800 -16.1482 5.2761 -16.0218 5.8503 -15.1261 6.6511 -15.3258 7.2247 -15.2383 6.5918 -15.4688 5.8675
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5.900 -14.4531 4.8906 -14.7105 5.1330 -14.7216 5.7376 -14.6307 6.1520 -14.2491 5.7980 -14.2560 4.9247
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