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<body class='hmmessage'><div dir='ltr'><span id="result_box" lang="en"><span class="hps">Dear Wien2k users<br><br>I tried to</span> <span class="hps">do calculations</span> <span class="hps">with on-site B3PW91 functional for 4</span><span class="hps">f</span><span class="hps"></span> oxide<br><br>this is my case.ineece, </span><span id="result_box" lang="en"><span id="result_box" lang="en"><span class="hps">for both</span> <span class="hps">f</span> <span class="hps">and</span> <span class="hps">d orbitals</span> <span class="hps">on the</span> <span class="hps">same</span> <span class="hps">atom</span></span><br><span class="hps"></span><span class="hps">-9.0</span> <span class="hps">1</span> <span class="hps">emin</span> <span class="hps">Natom</span><br><span class="hps">1 1 3</span> <span class="hps">iatom</span> <span class="hps">nlorb</span> <span class="hps">LORB</span><br><span class="hps">1 1 2</span> <span class="hps">iatom</span> <span class="hps">nlorb</span> <span class="hps">LORB</span><br><span class="hps">Hybr</span> <span class="hps">hybr</span> <span class="hps">/</span> <span class="hps">BCC</span> <span class="hps">fashion</span><br><span class="hps">0.20</span> <span class="hps">Amount of</span> <span class="hps">exact</span> <span class="hps">exchange<br><br>Error in Vorb<br> stop error: the required input file Case.in2 for the next step could not be found.<br><br>is not possible to do this kind of calculation?<br><br>Regards<br></span></span> </div></body>
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