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Dear Wien2k users,<br><br> My question is about the validity of KK trasformation, <span id="result_box" lang="en"><span class="hps">My</span> <span class="hps">goal is to use</span> <span class="hps">the program</span> <span class="hps">x kram to calculate</span> <span class="hps"></span> <span class="hps">refractive index</span> <span class="hps">n from </span> <span class="hps">extinction</span> <span class="hps">coefficient</span> <span class="hps">k.</span><br><br> <span class="hps">I tested</span> <span class="hps">it</span> <span class="hps">but</span> <span class="hps">I can not find</span> <span style="" class="hps">the same result. <br><br><b><font style="font-size: 16pt;" size="4">1</font></b>.first I calculate k and n with the "normal" calculation.<br></span></span><br>#<br># Lorentzian broadening with gamma= 0.000000 [eV]<br># Im(epsilon) shifted by 0.0000 [eV]<br># No intraband contributions added<br>#<br># Energy [eV] ref_ind_xx extinct_xx<br>#<br> 0.136060 0.751815E+01 0.391540E+00<br> 0.408170 0.102717E+02 0.181928E+01<br> 0.680280 0.231108E+01 0.683176E+01<br> 0.952400 0.307707E+01 0.171773E+01<br> 1.224510 0.326844E+01 0.132376E+01<br> 1.496630 0.840948E+01 0.658562E+01<br> 1.768740 0.323558E+01 0.457868E+01<br> 2.040850 0.187595E+01 0.432633E+01<br> 2.312970 0.135153E+01 0.372669E+01<br> 2.585080 0.105249E+01 0.329286E+01<br>.......... .................. ...............<br>13.197530 0.786248E+00 0.202728E-01<br><br><br>now if i calculated case.refraction from imposed case.joint ( Enegry vs k calculated from <font style="font-size: 16pt;" size="4"><b>1</b></font>) to found n<br>the result is different from the first calculation, in spite of keeping the same case.inkram.<br><br># Lorentzian broadening with gamma= 0.000000 [eV]<br># Im(epsilon) shifted by 0.0000 [eV]<br># No intraband contributions added.<br>#<br># Energy [eV] ref_ind_xx extinct_xx<br>#<br> 0.136060 0.213440E+01 0.917213E-01<br> 0.680280 0.231028E+01 0.147856E+01<br> 1.224510 0.264705E+01 0.250044E+00<br> 1.768740 0.150425E+01 0.152191E+01<br> 2.312970 0.149987E+01 0.124234E+01<br> 2.857200 0.135466E+01 0.108498E+01<br> 3.401420 0.123245E+01 0.962223E+00<br> 3.945650 0.114376E+01 0.859319E+00<br> 4.489880 0.107170E+01 0.772398E+00<br> 5.034110 0.100673E+01 0.693421E+00<br> 5.578340 0.950350E+00 0.616652E+00<br> 6.122560 0.901011E+00 0.540848E+00<br> 6.666790 0.856630E+00 0.465609E+00<br> 7.211020 0.811606E+00 0.384269E+00<br> 7.755250 0.772218E+00 0.285813E+00<br> 8.299480 0.765665E+00 0.167031E+00<br> 8.843700 0.812414E+00 0.855660E-01<br> 9.387930 0.850233E+00 0.524445E-01<br> 9.932160 0.875432E+00 0.366219E-01<br> 10.476390 0.893232E+00 0.279995E-01<br> 11.020620 0.906918E+00 0.218597E-01<br> 11.564840 0.917665E+00 0.178932E-01<br> 12.109070 0.926022E+00 0.149025E-01<br> 12.653300 0.932594E+00 0.125510E-01<br><br>where this difference comes from?<br>x kram is adapted for epsilon only? if no, how can i use it to calculate "correct" refractive index from extinction coefficient?<br><span id="result_box" lang="en"><span class="hps">should I use</span> <span class="hps">another program to do that ,</span> <span class="hps">if so, which</span><span> one, please?</span></span><br><br>Regards<br><br><br><br> </div></body>
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