<html><body><div style="color:#000; background-color:#fff; font-family:bookman old style, new york, times, serif;font-size:12pt"> Dear all<div style="font-family: bookman old style,new york,times,serif; font-size: 12pt;"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div id="yiv658510791"><div><div style="color: rgb(0, 0, 0); background-color: rgb(255, 255, 255); font-family: bookman old style,new york,times,serif; font-size: 12pt;"><div style="font-family: bookman old style,new york,times,serif; font-size: 12pt;"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div id="yiv658510791"><div><div style="color: rgb(0, 0, 0); background-color: rgb(255, 255, 255); font-family: bookman old style,new york,times,serif; font-size: 12pt;"><div style="font-family: bookman old style,new york,times,serif; font-size: 12pt;"><div style="font-family: times new roman,new york,times,serif; font-size:
12pt;"><div id="yiv658510791"><div><div style="color: rgb(0, 0, 0); background-color: rgb(255, 255, 255); font-family: bookman old style,new york,times,serif; font-size: 12pt;"><div><br></div><div>I am a new user of Quantum espresso (espresso-4.3.1), and I have found that it is possible, <br></div><div>as it is done in example 33, to
calculate dynamic <span id="yiv658510791misspell-0" class="yiv658510791"><span id="yiv658510791misspell-0" class="yiv658510791mark">polarizability</span></span> of molecules using pw.x <br></div><div>and <span id="yiv658510791misspell-2" class="yiv658510791mark">ph</span>.x.</div><div><br></div><div>I am interested on the description of properties of C60 <span id="yiv658510791misspell-3" class="yiv658510791"><span>complex</span></span>. I tried to modify the script of example 33</div><div>in order to get its dynamic <span id="yiv658510791misspell-3" class="yiv658510791mark">polarizability </span>but I couldn't even run self consistent calculation as the code signals "MPI abort..".</div><div><br></div><div> I <span id="yiv658510791misspell-4" class="yiv658510791"><span>would</span></span> like to know if:<br></div><ul><li>it is possible to
get <span id="yiv658510791misspell-5" class="yiv658510791"><span>dynamic</span></span> <span id="yiv658510791misspell-6" class="yiv658510791mark">polarizability or photoionization cross section </span>of C60 using this method or with any other code</li><li>it can run on normal desktop or laptop (Dual Core CPU with 4GB of RAM and 2.8 GHz) of frequency?<br></li><li>there is an input file of C60 available in case if my in put file may be the problem<br></li></ul><div><br>The sample in put file I modified and used is joined to this mail.<br><br></div><div>Kind <span id="yiv658510791misspell-7" class="yiv658510791mark">regards</span><br></div></div></div></div><br>Anne J. ETINDELE<br>PhD Student<br>Laboratoire de Physique Fondamentale<br>Université de Douala, Cameroun<br>Assistant Lecturer <br>Ecole Normale Supérieure <br>Université de Yaoundé, Cameroun<br> </div> </div> </div></div></div><br><br> </div> </div> </div></div></div><br><br> </div> </div>
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