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<div dir="ltr"><font style="font-size: 12pt;" face="Arial" size="3"> Dear Wien2k Users,</font><font style="font-size: 12pt;" face="Arial" size="3"><br></font><font style="font-size: 12pt;" face="Arial" size="3"><br></font><font style="font-size: 12pt;" face="Arial" size="3"> </font><font style="font-size: 12pt;" face="Arial" size="3"><span id="result_box" lang="en"><span class="hps">as indicated in the</span> <span class="hps">UG,</span> <span class="hps">to calculate</span> <span class="hps">case.epsilon</span> <span class="hps"><font style="font-size: 12pt;" size="3">we</font> must have </span><span class="hps"><font style="font-size: 12pt;" size="3"> </font></span><span class="hps">case.joint</span><span>,</span><span class="hps"></span> <span class="hps">case.inkram</span> and <span class="hps">kram.def</span><span><font style="font-size: 12pt;" size="3"> files.<br><br></font></span> <span class="hps">Now</span> <span class="hps">if I replace</span> <span class="hps">the</span> <span class="hps">case.joint</span> <span class="hps">(<b>containing</b></span><b> <span class="hps">Im</span> </b><span class="hps"><b>epsilon</b>)</span> <span class="hps">by another file</span> <span class="hps">(</span> <b><span class="hps">containing</span> <span class="hps"></span> </b><span class="hps"><b>k valu</b><font style="font-size: 12pt;" size="3"><b>es</b> ) </font></span> <span class="hps">respecting</span> <span class="hps"> the</span> <span class="hps">original file.<br><br></span> <span class="hps">I am able in principle<font style="font-size: 12pt;" size="3">, </font>to</span> <span class="hps">calculate</span> <span class="hps">the new</span> <span class="hps">case.epsilon</span></span></font><font style="font-size: 12pt;" face="Arial" size="3"><span id="result_box" lang="en"><span class="hps"><span id="result_box" lang="en"><span class="hps"><font style="font-size: 12pt;" size="3">, </font>which contains in</span> <span class="hps">addition k values</span> <font style="font-size: 12pt;" size="3">and </font><span class="hps">refractive index n values.<br><br></span></span></span></span></font><font style="font-size: 12pt;" face="Arial" size="3"><span id="result_box" lang="en"><span class="hps"><span id="result_box" lang="en"><span class="hps"><font style="font-size: 12pt;" size="3"><span id="result_box" lang="en"><span class="hps">I tried</span> <span class="hps">several times without success</span><font style="font-size: 12pt;" size="3">. t</font><span class="hps">his is the message after </span></span></font>x kram. <br><br> xx<br> Energy units: [eV]<br> Lorentzian broadening with gamma: 0.000000000000000 [eV]<br>forrtl: severe (64): input conversion error, unit 10, file /archive/<font style="font-size: 12pt;" size="3">user</font>/Al_para/Al_para.joint<br>Image PC Routine Line Source <br>kram 0000000000476F81 Unknown Unknown Unknown<br>kram 0000000000475F55 Unknown Unknown Unknown<br>kram 000000000043D07A Unknown Unknown Unknown<br>kram 000000000040B0B5 Unknown Unknown Unknown<br>kram 000000000040A8AA Unknown Unknown Unknown<br>kram 0000000000421826 Unknown Unknown Unknown<br>kram 000000000041ED63 Unknown Unknown Unknown<br>kram 000000000040394B MAIN__ 142 kram.f<br>kram 0000000000402DDC Unknown Unknown Unknown<br>libc.so.6 0000003CF001D8B4 Unknown Unknown Unknown<br>kram 0000000000402CE9 Unknown Unknown Unknown<br>0.002u 0.005s 0:00.01 0.0% 0+0k 0+0io 0pf+0w<br>error: command /share/apps/wien2k/kram kram.def failed.<br><br><font style="font-size: 12pt;" size="3">how can i resol<font style="font-size: 12pt;" size="3">ve it ? <br><br><font style="font-size: 12pt;" size="3">Regards</font><br></font></font><br><br><br><br><font style="font-size: 12pt;" size="3">PS: i use <font style="font-size: 12pt;" size="3">the last Wien2k version <br><font style="font-size: 12pt;" size="3">"normal" calculation of epsilon with the <font style="font-size: 12pt;" size="3">standard <font style="font-size: 12pt;" size="3">technique :<br><font style="font-size: 12pt;" size="3">scf , optic, joint, kram .. wit<font style="font-size: 12pt;" size="3">h</font>out <font style="font-size: 12pt;" size="3">problems.</font></font><br></font></font></font></font></font>.<br><br><br><br><br><br></span></span></span> <span class="hps"></span></span></font></div>
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