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strongers
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[求助]
求大家帮忙,看一下这介电常数,怎么处理成吸收系数
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frequency dependent IMAGINARY DIELECTRIC FUNCTION (RPA, no local field effects) E(ev) X Y Z XY YZ ZX -------------------------------------------------------------------------------------- 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.369665 0.030580 0.030580 0.022784 0.000000 0.000000 0.000000 0.739330 0.066342 0.066342 0.048893 0.000000 0.000000 0.000000 1.108994 0.115409 0.115409 0.083251 0.000000 0.000000 0.000000 1.478659 0.196115 0.196115 0.135976 0.000000 0.000000 0.000000 1.848324 0.369865 0.369865 0.236581 0.000000 0.000000 0.000000 2.217989 1.129210 1.129210 0.577310 0.000000 0.000000 0.000000 2.587653 5.563854 5.563854 2.246615 0.000000 0.000000 0.000000 2.957318 8.927897 8.927897 6.431707 0.000000 0.000000 0.000000 3.326983 10.111450 10.111450 8.886060 0.000000 0.000000 0.000000 3.696648 9.686219 9.686219 9.656083 0.000000 0.000000 0.000000 4.066312 9.883578 9.883578 9.261408 0.000000 0.000000 0.000000 4.435977 8.551889 8.551889 7.258929 0.000000 0.000000 0.000000 4.805642 7.277299 7.277299 6.726104 0.000000 0.000000 0.000000 5.175307 5.870165 5.870165 5.853243 0.000000 0.000000 0.000000 5.544971 5.080813 5.080813 4.649542 0.000000 0.000000 0.000000 5.914636 3.624897 3.624897 3.507148 0.000000 0.000000 0.000000 6.284301 2.628299 2.628299 2.889035 0.000000 0.000000 0.000000 6.653966 1.995615 1.995615 2.418525 0.000000 0.000000 0.000000 7.023630 1.666333 1.666333 1.741998 0.000000 0.000000 0.000000 7.393295 1.519458 1.519458 1.456633 0.000000 0.000000 0.000000 7.762960 1.325290 1.325290 1.322762 0.000000 0.000000 0.000000 8.132625 1.169088 1.169088 1.226026 0.000000 0.000000 0.000000 8.502289 1.152873 1.152873 1.023229 0.000000 0.000000 0.000000 8.871954 1.347933 1.347933 1.166904 0.000000 0.000000 0.000000 9.241619 1.691734 1.691734 1.259105 0.000000 0.000000 0.000000 9.611284 2.080641 2.080641 1.393119 0.000000 0.000000 0.000000 9.980949 2.116758 2.116758 1.627248 0.000000 0.000000 0.000000 10.350613 2.086060 2.086060 1.671379 0.000000 0.000000 0.000000 10.720278 1.851007 1.851007 1.952668 0.000000 0.000000 0.000000 11.089943 1.671198 1.671198 1.942650 0.000000 0.000000 0.000000 11.459608 1.722249 1.722249 1.804432 0.000000 0.000000 0.000000 11.829272 1.759251 1.759251 1.571589 0.000000 0.000000 0.000000 12.198937 1.629420 1.629420 1.511708 0.000000 0.000000 0.000000 12.568602 1.442925 1.442925 1.472518 0.000000 0.000000 0.000000 12.938267 1.391098 1.391098 1.464125 0.000000 0.000000 0.000000 13.307931 1.448108 1.448108 1.322777 0.000000 0.000000 0.000000 13.677596 1.371321 1.371321 1.304091 0.000000 0.000000 0.000000 14.047261 1.110238 1.110238 1.250112 0.000000 0.000000 0.000000 14.416926 1.012212 1.012212 1.213812 0.000000 0.000000 0.000000 14.786590 0.876873 0.876873 1.072950 0.000000 0.000000 0.000000 15.156255 0.785780 0.785780 0.842910 0.000000 0.000000 0.000000 15.525920 0.739365 0.739365 0.829242 0.000000 0.000000 0.000000 15.895585 0.557722 0.557722 0.624585 0.000000 0.000000 0.000000 16.265249 0.484810 0.484810 0.458742 0.000000 0.000000 0.000000 16.634914 0.392154 0.392154 0.354762 0.000000 0.000000 0.000000 17.004579 0.285541 0.285541 0.299585 0.000000 0.000000 0.000000 17.374244 0.238669 0.238669 0.247682 0.000000 0.000000 0.000000 17.743908 0.230707 0.230707 0.213936 0.000000 0.000000 0.000000 18.113573 0.190205 0.190205 0.173741 0.000000 0.000000 0.000000 18.483238 0.130678 0.130678 0.123466 0.000000 0.000000 0.000000 18.852903 0.087061 0.087061 0.077561 0.000000 0.000000 0.000000 19.222567 0.073049 0.073049 0.118829 0.000000 0.000000 0.000000 19.592232 0.100740 0.100740 0.121630 0.000000 0.000000 0.000000 19.961897 0.110377 0.110377 0.103586 0.000000 0.000000 0.000000 20.331562 0.069456 0.069456 0.087983 0.000000 0.000000 0.000000 20.701227 0.033672 0.033672 0.034309 0.000000 0.000000 0.000000 21.070891 0.020228 0.020228 0.018635 0.000000 0.000000 0.000000 21.440556 0.011883 0.011883 0.010584 0.000000 0.000000 0.000000 21.810221 0.008510 0.008510 0.008231 0.000000 0.000000 0.000000 22.179886 0.007241 0.007241 0.007093 0.000000 0.000000 0.000000 22.549550 0.006487 0.006487 0.006326 0.000000 0.000000 0.000000 22.919215 0.005955 0.005955 0.005749 0.000000 0.000000 0.000000 23.288880 0.005510 0.005510 0.005299 0.000000 0.000000 0.000000 23.658545 0.005193 0.005193 0.004937 0.000000 0.000000 0.000000 24.028209 0.004955 0.004955 0.004668 0.000000 0.000000 0.000000 24.397874 0.004906 0.004906 0.004549 0.000000 0.000000 0.000000 24.767539 0.005150 0.005150 0.004659 0.000000 0.000000 0.000000 25.137204 0.005948 0.005948 0.005178 0.000000 0.000000 0.000000 25.506868 0.007323 0.007323 0.006297 0.000000 0.000000 0.000000 25.876533 0.010294 0.010294 0.008736 0.000000 0.000000 0.000000 26.246198 0.014829 0.014829 0.011693 0.000000 0.000000 0.000000 26.615863 0.021688 0.021688 0.014312 0.000000 0.000000 0.000000 26.985527 0.023944 0.023944 0.015998 0.000000 0.000000 0.000000 27.355192 0.021341 0.021341 0.015928 0.000000 0.000000 0.000000 27.724857 0.023585 0.023585 0.018247 0.000000 0.000000 0.000000 28.094522 0.025448 0.025448 0.019116 0.000000 0.000000 0.000000 28.464186 0.024974 0.024974 0.022117 0.000000 0.000000 0.000000 28.833851 0.018144 0.018144 0.018334 0.000000 0.000000 0.000000 29.203516 0.007581 0.007581 0.009504 0.000000 0.000000 0.000000 29.573181 0.003631 0.003631 0.004659 0.000000 0.000000 0.000000 29.942846 0.002574 0.002574 0.003492 0.000000 0.000000 0.000000 30.312510 0.002136 0.002136 0.002307 0.000000 0.000000 0.000000 30.682175 0.001923 0.001923 0.001880 0.000000 0.000000 0.000000 31.051840 0.001778 0.001778 0.001710 0.000000 0.000000 0.000000 31.421505 0.001664 0.001664 0.001593 0.000000 0.000000 0.000000 31.791169 0.001570 0.001570 0.001500 0.000000 0.000000 0.000000 32.160834 0.001488 0.001488 0.001420 0.000000 0.000000 0.000000 32.530499 0.001415 0.001415 0.001350 0.000000 0.000000 0.000000 32.900164 0.001350 0.001350 0.001287 0.000000 0.000000 0.000000 33.269828 0.001290 0.001290 0.001229 0.000000 0.000000 0.000000 33.639493 0.001235 0.001235 0.001177 0.000000 0.000000 0.000000 34.009158 0.001184 0.001184 0.001128 0.000000 0.000000 0.000000 34.378823 0.001136 0.001136 0.001083 0.000000 0.000000 0.000000 34.748487 0.001092 0.001092 0.001040 0.000000 0.000000 0.000000 35.118152 0.001050 0.001050 0.001000 0.000000 0.000000 0.000000 35.487817 0.001011 0.001011 0.000963 0.000000 0.000000 0.000000 35.857482 0.000974 0.000974 0.000927 0.000000 0.000000 0.000000 36.227146 0.000938 0.000938 0.000894 0.000000 0.000000 0.000000 36.596811 0.000905 0.000905 0.000862 0.000000 0.000000 0.000000 frequency dependent REAL DIELECTRIC FUNCTION (RPA, no local field effects) E(ev) X Y Z XY YZ ZX -------------------------------------------------------------------------------------- 0.000000 6.837105 6.837105 5.964201 0.000000 0.000000 0.000000 0.369665 6.892681 6.892681 6.005699 0.000000 0.000000 0.000000 0.739330 7.068496 7.068496 6.136069 0.000000 0.000000 0.000000 1.108994 7.396673 7.396673 6.375610 0.000000 0.000000 0.000000 1.478659 7.953251 7.953251 6.770049 0.000000 0.000000 0.000000 1.848324 8.933918 8.933918 7.426969 0.000000 0.000000 0.000000 2.217989 11.015183 11.015183 8.667321 0.000000 0.000000 0.000000 2.587653 12.607547 12.607547 10.383120 0.000000 0.000000 0.000000 2.957318 9.436967 9.436967 10.979722 0.000000 0.000000 0.000000 3.326983 6.662868 6.662868 7.872854 0.000000 0.000000 0.000000 3.696648 3.974091 3.974091 4.276165 0.000000 0.000000 0.000000 4.066312 2.536989 2.536989 2.522514 0.000000 0.000000 0.000000 4.435977 -0.045823 -0.045823 0.319172 0.000000 0.000000 0.000000 4.805642 -0.896799 -0.896799 0.268135 0.000000 0.000000 0.000000 5.175307 -1.402818 -1.402818 -0.885939 0.000000 0.000000 0.000000 5.544971 -1.830476 -1.830476 -1.385298 0.000000 0.000000 0.000000 5.914636 -2.040663 -2.040663 -1.381940 0.000000 0.000000 0.000000 6.284301 -1.666702 -1.666702 -1.107942 0.000000 0.000000 0.000000 6.653966 -1.206871 -1.206871 -1.051917 0.000000 0.000000 0.000000 7.023630 -0.655146 -0.655146 -0.750368 0.000000 0.000000 0.000000 7.393295 -0.300966 -0.300966 -0.375946 0.000000 0.000000 0.000000 7.762960 -0.137593 -0.137593 -0.082378 0.000000 0.000000 0.000000 8.132625 0.249371 0.249371 0.030387 0.000000 0.000000 0.000000 8.502289 0.627377 0.627377 0.488626 0.000000 0.000000 0.000000 8.871954 0.933387 0.933387 0.653787 0.000000 0.000000 0.000000 9.241619 1.105824 1.105824 0.884463 0.000000 0.000000 0.000000 9.611284 0.847943 0.847943 0.870515 0.000000 0.000000 0.000000 9.980949 0.536117 0.536117 0.997514 0.000000 0.000000 0.000000 10.350613 0.359977 0.359977 0.857337 0.000000 0.000000 0.000000 10.720278 0.165166 0.165166 0.798741 0.000000 0.000000 0.000000 11.089943 0.207286 0.207286 0.431330 0.000000 0.000000 0.000000 11.459608 0.240857 0.240857 0.203814 0.000000 0.000000 0.000000 11.829272 0.131708 0.131708 0.219191 0.000000 0.000000 0.000000 12.198937 -0.044310 -0.044310 0.232137 0.000000 0.000000 0.000000 12.568602 -0.055162 -0.055162 0.201798 0.000000 0.000000 0.000000 12.938267 0.015806 0.015806 0.051264 0.000000 0.000000 0.000000 13.307931 -0.078775 -0.078775 0.058708 0.000000 0.000000 0.000000 13.677596 -0.247251 -0.247251 0.032212 0.000000 0.000000 0.000000 14.047261 -0.314669 -0.314669 -0.044648 0.000000 0.000000 0.000000 14.416926 -0.286920 -0.286920 -0.144658 0.000000 0.000000 0.000000 14.786590 -0.267847 -0.267847 -0.270976 0.000000 0.000000 0.000000 15.156255 -0.232944 -0.232944 -0.243561 0.000000 0.000000 0.000000 15.525920 -0.258487 -0.258487 -0.237497 0.000000 0.000000 0.000000 15.895585 -0.280326 -0.280326 -0.337804 0.000000 0.000000 0.000000 16.265249 -0.180514 -0.180514 -0.230122 0.000000 0.000000 0.000000 16.634914 -0.172821 -0.172821 -0.137463 0.000000 0.000000 0.000000 17.004579 -0.084914 -0.084914 -0.044633 0.000000 0.000000 0.000000 17.374244 0.001075 0.001075 0.006471 0.000000 0.000000 0.000000 17.743908 0.059938 0.059938 0.070931 0.000000 0.000000 0.000000 18.113573 0.077568 0.077568 0.110820 0.000000 0.000000 0.000000 18.483238 0.123902 0.123902 0.161932 0.000000 0.000000 0.000000 18.852903 0.191765 0.191765 0.240445 0.000000 0.000000 0.000000 19.222567 0.274299 0.274299 0.332309 0.000000 0.000000 0.000000 19.592232 0.327551 0.327551 0.318995 0.000000 0.000000 0.000000 19.961897 0.305554 0.305554 0.336866 0.000000 0.000000 0.000000 20.331562 0.323238 0.323238 0.333103 0.000000 0.000000 0.000000 20.701227 0.364620 0.364620 0.373147 0.000000 0.000000 0.000000 21.070891 0.406677 0.406677 0.420633 0.000000 0.000000 0.000000 21.440556 0.444354 0.444354 0.460718 0.000000 0.000000 0.000000 21.810221 0.477474 0.477474 0.494050 0.000000 0.000000 0.000000 22.179886 0.505998 0.505998 0.522115 0.000000 0.000000 0.000000 22.549550 0.530981 0.530981 0.546735 0.000000 0.000000 0.000000 22.919215 0.553445 0.553445 0.568806 0.000000 0.000000 0.000000 23.288880 0.574010 0.574010 0.588929 0.000000 0.000000 0.000000 23.658545 0.592974 0.592974 0.607413 0.000000 0.000000 0.000000 24.028209 0.610725 0.610725 0.624629 0.000000 0.000000 0.000000 24.397874 0.627444 0.627444 0.640743 0.000000 0.000000 0.000000 24.767539 0.643351 0.643351 0.656022 0.000000 0.000000 0.000000 25.137204 0.658754 0.658754 0.670553 0.000000 0.000000 0.000000 25.506868 0.673401 0.673401 0.684413 0.000000 0.000000 0.000000 25.876533 0.686777 0.686777 0.697219 0.000000 0.000000 0.000000 26.246198 0.699912 0.699912 0.707908 0.000000 0.000000 0.000000 26.615863 0.707509 0.707509 0.716340 0.000000 0.000000 0.000000 26.985527 0.711049 0.711049 0.724461 0.000000 0.000000 0.000000 27.355192 0.715630 0.715630 0.729538 0.000000 0.000000 0.000000 27.724857 0.725615 0.725615 0.739887 0.000000 0.000000 0.000000 28.094522 0.726850 0.726850 0.743081 0.000000 0.000000 0.000000 28.464186 0.730269 0.730269 0.747741 0.000000 0.000000 0.000000 28.833851 0.727967 0.727967 0.746225 0.000000 0.000000 0.000000 29.203516 0.736515 0.736515 0.750308 0.000000 0.000000 0.000000 29.573181 0.748629 0.748629 0.761367 0.000000 0.000000 0.000000 29.942846 0.758394 0.758394 0.770206 0.000000 0.000000 0.000000 30.312510 0.766734 0.766734 0.777856 0.000000 0.000000 0.000000 30.682175 0.774178 0.774178 0.785204 0.000000 0.000000 0.000000 31.051840 0.781000 0.781000 0.791802 0.000000 0.000000 0.000000 31.421505 0.787352 0.787352 0.797895 0.000000 0.000000 0.000000 31.791169 0.793324 0.793324 0.803605 0.000000 0.000000 0.000000 32.160834 0.798972 0.798972 0.808996 0.000000 0.000000 0.000000 32.530499 0.804334 0.804334 0.814112 0.000000 0.000000 0.000000 32.900164 0.809442 0.809442 0.818983 0.000000 0.000000 0.000000 33.269828 0.814319 0.814319 0.823631 0.000000 0.000000 0.000000 33.639493 0.818984 0.818984 0.828077 0.000000 0.000000 0.000000 34.009158 0.823452 0.823452 0.832336 0.000000 0.000000 0.000000 34.378823 0.827739 0.827739 0.836420 0.000000 0.000000 0.000000 34.748487 0.831855 0.831855 0.840342 0.000000 0.000000 0.000000 35.118152 0.835812 0.835812 0.844112 0.000000 0.000000 0.000000 35.487817 0.839620 0.839620 0.847739 0.000000 0.000000 0.000000 35.857482 0.843286 0.843286 0.851232 0.000000 0.000000 0.000000 36.227146 0.846820 0.846820 0.854597 0.000000 0.000000 0.000000 36.596811 0.850227 0.850227 0.857842 0.000000 0.000000 0.000000 The outermost node in the RPA dielectric function lies at epsilon= 17.4 这个介电常数xx,yy,是相同的,zz方向与其他两个是不同的。我想问一下算光吸收系数的时候怎么算。 谢谢大家讨论知道,十分感谢。 |
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strongers
新虫 (初入文坛)
- 应助: 1 (幼儿园)
- 金币: 34.3
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- 虫号: 2058663
- 注册: 2012-10-13
- 专业: 凝聚态物性 II :电子结构
4楼2012-10-15 10:31:06
c0308010104
木虫 (小有名气)
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- 注册: 2008-04-24
- 性别: GG
- 专业: 其他无机非金属材料
5楼2012-10-15 10:58:44
strongers
新虫 (初入文坛)
- 应助: 1 (幼儿园)
- 金币: 34.3
- 帖子: 17
- 在线: 7.6小时
- 虫号: 2058663
- 注册: 2012-10-13
- 专业: 凝聚态物性 II :电子结构
6楼2012-10-15 11:02:29

7楼2013-03-10 22:16:53










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