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 47.5693 0.0000 46.5175 0.0000 44.6954 0.0000 39.4554 0.0000 40.8541 0.0000 41.5744 0.0000 0.0000 0.0000
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0.100 47.6194 0.1007 46.5663 0.0981 44.7418 0.0932 39.4947 0.0789 40.8952 0.0827 41.6164 0.0844 0.0000 0.0000
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0.200 47.7702 0.2028 46.7133 0.1977 44.8814 0.1878 39.6129 0.1590 41.0192 0.1666 41.7429 0.1701 0.0000 0.0000
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0.300 48.0239 0.3078 46.9607 0.3001 45.1164 0.2850 39.8118 0.2412 41.2277 0.2529 41.9557 0.2581 0.0000 0.0000
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0.400 48.3842 0.4174 47.3120 0.4069 45.4501 0.3865 40.0942 0.3269 41.5237 0.3427 42.2578 0.3498 0.0000 0.0000
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0.500 48.8565 0.5333 47.7725 0.5199 45.8874 0.4937 40.4640 0.4174 41.9114 0.4377 42.6536 0.4468 0.0000 0.0000
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0.600 49.4479 0.6576 48.3491 0.6411 46.4349 0.6087 40.9268 0.5142 42.3968 0.5394 43.1490 0.5506 0.0000 0.0000
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0.700 50.1679 0.7927 49.0512 0.7729 47.1014 0.7336 41.4897 0.6192 42.9872 0.6497 43.7517 0.6632 0.0000 0.0000
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0.800 51.0286 0.9415 49.8904 0.9181 47.8978 0.8712 42.1617 0.7345 43.6924 0.7710 44.4717 0.7871 0.0000 0.0000
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0.900 52.0451 1.1078 50.8816 1.0803 48.8383 1.0248 42.9543 0.8630 44.5245 0.9062 45.3212 0.9253 0.0000 0.0000
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1.000 53.2367 1.2960 52.0436 1.2639 49.9405 1.1985 43.8820 1.0079 45.4988 1.0589 46.3161 1.0813 0.0000 0.0000
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1.100 54.6275 1.5121 53.4001 1.4748 51.2267 1.3980 44.9629 1.1736 46.6347 1.2338 47.4761 1.2602 0.0000 0.0000
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1.200 56.2486 1.7639 54.9813 1.7206 52.7252 1.6303 46.2201 1.3661 47.9567 1.4371 48.8265 1.4682 0.0000 0.0000
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1.300 58.1395 2.0619 56.8258 2.0117 54.4726 1.9051 47.6832 1.5929 49.4963 1.6771 50.3996 1.7138 0.0000 0.0000
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1.400 60.3515 2.4207 58.9842 2.3624 56.5162 2.2358 49.3904 1.8648 51.2943 1.9653 52.2372 2.0091 0.0000 0.0000
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1.500 62.9528 2.8610 61.5230 2.7929 58.9184 2.6414 51.3920 2.1968 53.4046 2.3179 54.3947 2.3706 0.0000 0.0000
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1.600 66.0346 3.4128 64.5317 3.3329 61.7633 3.1497 53.7554 2.6109 55.8994 2.7587 56.9467 2.8232 0.0000 0.0000
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1.700 69.7229 4.1219 68.1343 4.0276 65.1668 3.8027 56.5733 3.1401 58.8783 3.3235 59.9958 3.4041 0.0000 0.0000
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1.800 74.1965 5.0605 72.5063 4.9484 69.2934 4.6671 59.9763 3.8366 62.4820 4.0692 63.6879 4.1726 0.0000 0.0000
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1.900 79.7171 6.3491 77.9059 6.2146 74.3842 5.8535 64.1549 4.7862 66.9169 5.0899 68.2369 5.2280 0.0000 0.0000
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2.000 86.6853 8.2009 84.7282 8.0382 80.8078 7.5582 69.3987 6.1406 72.4976 6.5527 73.9711 6.7470 0.0000 0.0000
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2.100 95.7433 11.0260 93.6088 10.8282 89.1556 10.1582 76.1695 8.1886 79.7285 8.7780 81.4186 9.0726 0.0003 0.0000
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2.200 107.9799 15.7002 105.6276 15.4613 100.4308 14.4554 85.2446 11.5411 89.4630 12.4480 91.4788 12.9446 0.0232 0.0001
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2.300 125.3271 24.3767 122.7026 24.1049 116.4178 22.4096 97.9946 17.6830 103.2172 19.2332 105.7525 20.2076 0.6884 0.0026
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2.400 150.9887 43.4451 147.9772 43.2278 140.1463 39.7768 116.6836 30.9647 123.5395 34.0556 126.8577 36.4283 8.3263 0.0332
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2.500 183.7594 95.5494 179.5689 95.4467 171.7321 87.0842 140.5913 66.2985 150.1582 74.3709 152.9440 81.6351 42.4424 0.1892
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2.600 148.6072 211.5927 146.6048 211.3892 142.7431 203.5120 128.4527 144.2674 125.8784 171.4615 111.3752 179.8831 92.9901 0.5309
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2.700 -4.5178 210.1175 -18.0649 203.2402 -14.3019 194.6568 16.1236 174.6296 -7.1649 161.3794 -10.0555 145.2167 87.4439 0.8523
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2.800 -19.6827 103.7194 -23.2170 95.4776 -25.4055 92.2338 -16.4676 87.1139 -8.5655 76.9590 -0.1788 70.7720 36.8484 0.9877
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2.900 29.5416 79.3339 24.1316 70.5319 18.1534 63.4163 19.5334 58.8388 30.3324 59.4120 38.8736 57.8696 24.3854 1.0773
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3.000 61.9423 123.5054 60.0229 104.1529 56.4185 85.8402 47.2665 81.6827 56.6701 90.2663 68.2917 90.1337 59.9493 1.2976
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3.100 -14.9700 165.5456 6.9575 153.8444 22.6983 143.9122 7.7709 108.1931 11.3143 124.3225 25.2714 143.2705 79.3182 1.5891
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3.200 -35.3979 93.9634 -22.7723 99.4813 -15.4038 96.0618 3.9128 71.7537 -5.1808 81.7768 -11.6122 98.4193 57.3419 1.7998
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3.300 3.3753 83.5153 8.2088 93.8288 19.3565 92.4271 28.0957 81.9607 22.0922 86.7661 5.0709 93.1170 57.4819 2.0111
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3.400 12.9294 135.5634 1.2368 146.1979 3.3799 150.7623 14.5101 127.5691 2.0975 130.4115 -3.4473 122.0173 72.2671 2.2766
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3.500 -73.2066 129.2995 -79.2739 117.0452 -79.6114 116.3223 -58.3419 107.6889 -59.6287 98.9784 -57.9118 95.5475 61.9412 2.5043
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3.600 -66.4557 77.0955 -63.0175 67.4264 -62.4840 62.7954 -48.3129 60.6931 -44.6785 60.9662 -41.3713 59.4762 66.3323 2.7480
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3.700 -62.3497 64.3564 -53.7469 64.0010 -46.0174 62.3087 -40.0959 51.6950 -37.2357 56.0225 -30.8303 61.0198 91.4334 3.0841
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3.800 -51.8145 47.8152 -54.1531 47.0846 -54.5242 48.9338 -30.9078 38.2988 -32.5996 43.9846 -33.4773 50.9757 80.2018 3.3788
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3.900 -38.5176 48.9347 -37.1131 37.1362 -39.5189 31.6518 -13.9356 35.1642 -17.3387 44.4025 -18.1822 50.9961 51.0446 3.5664
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4.000 -52.6854 50.4907 -29.9016 50.8756 -20.4547 35.3106 -3.5136 54.4764 -21.3020 54.4618 -30.2347 66.7945 46.1279 3.7359
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4.100 -47.8268 29.5059 -45.8494 41.4426 -26.3820 53.6897 -28.3051 66.4201 -30.9719 57.8452 -46.5010 48.8918 43.4035 3.8954
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4.200 -33.6898 21.7244 -35.2933 25.9861 -36.0429 35.6278 -39.7348 40.0741 -39.2839 36.9535 -39.2388 29.8552 23.8610 3.9831
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4.300 -17.2836 23.5211 -17.7633 25.4504 -18.8261 29.1933 -22.3078 28.6817 -22.4217 27.3564 -21.9945 24.8725 18.3908 4.0507
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4.400 -3.3394 41.6357 -2.0992 43.6855 -2.2414 46.8541 -5.3263 40.1933 -5.8172 38.9812 -6.9168 37.2713 57.9515 4.2636
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4.500 -27.3122 69.0574 -29.2581 77.5310 -30.1966 81.9771 -22.5313 67.5328 -22.8029 65.3592 -21.8774 58.6228 96.5938 4.6186
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4.600 -46.1664 44.7763 -56.2387 45.3236 -63.1384 47.6374 -43.9720 43.6094 -39.6833 43.3167 -31.8745 43.2865 77.3374 4.9028
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4.700 -37.8236 42.8233 -44.4695 32.8315 -51.0784 27.9430 -30.8629 36.6208 -29.0124 43.8893 -26.7750 52.3686 74.7686 5.1776
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4.800 -52.8702 41.6222 -46.2082 33.1991 -45.6007 24.0895 -40.2793 46.8199 -49.0327 48.9175 -53.6030 53.0609 80.5546 5.4736
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4.900 -51.1672 24.6977 -44.1776 23.8416 -38.7068 18.5241 -46.3205 30.2907 -51.0533 27.1532 -56.7202 26.8778 53.5039 5.6702
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5.000 -47.5693 22.9330 -43.0577 25.5477 -32.7545 25.0371 -44.0853 28.8138 -44.7089 23.1602 -46.9845 19.4507 42.9508 5.8281
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5.100 -49.2332 14.6789 -48.0473 18.6806 -45.9536 25.4216 -49.4297 18.9821 -47.0412 18.4687 -46.8369 16.1445 33.0198 5.9494
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5.200 -43.5797 7.8322 -44.3004 9.4918 -45.2416 11.9137 -43.6824 9.4862 -43.4241 9.5851 -42.8358 8.6670 11.9257 5.9933
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5.300 -38.2805 5.0859 -38.7112 5.6889 -39.2349 6.5457 -37.7190 5.8159 -37.7628 5.7643 -37.4417 5.3958 1.7334 5.9996
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5.400 -34.2357 3.7389 -34.4053 4.0048 -34.5691 4.3746 -33.2632 4.1105 -33.3954 4.0551 -33.2598 3.8781 0.0981 6.0000
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5.500 -31.0533 2.9437 -31.0735 3.0784 -31.0345 3.2617 -29.8441 3.1470 -30.0260 3.1074 -29.9987 3.0114 0.0021 6.0000
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5.600 -28.4561 2.4170 -28.3907 2.4913 -28.2376 2.5904 -27.1112 2.5301 -27.3243 2.5043 -27.3618 2.4480 0.0000 6.0000
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5.700 -26.2762 2.0410 -26.1604 2.0843 -25.9413 2.1405 -24.8558 2.1017 -25.0885 2.0855 -25.1660 2.0510 0.0000 6.0000
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5.800 -24.4081 1.7586 -24.2618 1.7844 -24.0040 1.8169 -22.9494 1.7869 -23.1939 1.7774 -23.2970 1.7555 0.0000 6.0000
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5.900 -22.7812 1.5384 -22.6165 1.5538 -22.3361 1.5723 -21.3084 1.5460 -21.5594 1.5410 -21.6788 1.5270 0.0000 6.0000
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