<html><body><div style="color:#000; background-color:#fff; font-family:verdana, helvetica, sans-serif;font-size:16px"><div id="yui_3_16_0_1_1438162549645_166655">Dear Quantum Espresso users,</div><div id="yui_3_16_0_1_1438162549645_171631"><br></div><div id="yui_3_16_0_1_1438162549645_170525">I'm trying to find the optical properties using the epsilon.x.</div><div dir="ltr" id="yui_3_16_0_1_1438162549645_170586">I calculated them with LDA approximation <span id="result_box" class="" lang="en"><span id="yui_3_16_0_1_1438162549645_170598" class="">and I</span> <span id="yui_3_16_0_1_1438162549645_170599" class="">want to correct</span> <span id="yui_3_16_0_1_1438162549645_170600" class="">them with</span> <span id="yui_3_16_0_1_1438162549645_170601" class="">HSE</span> functional <span id="yui_3_16_0_1_1438162549645_170605" class="">.</span> <span id="yui_3_16_0_1_1438162549645_170603" class="">My</span> input <span id="yui_3_16_0_1_1438162549645_170606" class="">is as follows :</span></span></div><div id="yui_3_16_0_1_1438162549645_170607" dir="ltr"><span id="result_box" class="" lang="en"><span id="yui_3_16_0_1_1438162549645_170606" class=""></span></span><span id="result_box" class="" lang="en"><span id="yui_3_16_0_1_1438162549645_170606" class="">&inputpp<br class=""> outdir='/home/ipcms/said/scratch/',<br class=""> prefix='25rsh',<br class=""> calculation='eps',<br class="">/<br class="">&energy_grid<br class="">smeartype=’gauss’,<br class="">intersmear=0.136d0,<br class="">intrasmear=0.0d0,<br class="">wmax=30.0d0,<br class="">wmin=0.0d0,<br class="">nw=500,<br class="">shift=0.0d0,<br class=""></span></span></div><div id="yui_3_16_0_1_1438162549645_170681" dir="ltr"><br><span id="result_box" class="" lang="en"><span id="yui_3_16_0_1_1438162549645_170606" class=""></span></span></div><div id="yui_3_16_0_1_1438162549645_170708" dir="ltr"><span id="result_box" class="" lang="en"><span id="yui_3_16_0_1_1438162549645_170606" class="">when i change the parameters in the list energy grid, sometimes it displays the error : " Error in routine epsilon (1): reading namelist ENERGY GRID espresso"</span></span></div><div id="yui_3_16_0_1_1438162549645_170752" dir="ltr"><span id="result_box" class="" lang="en"><span id="yui_3_16_0_1_1438162549645_170606" class="">or it runs in an open loop.</span></span></div><div id="yui_3_16_0_1_1438162549645_171037" dir="ltr"><br><span class="" id="yui_3_16_0_1_1438162549645_166594" dir="ltr">Why such a problem occurs?</span></div><div id="yui_3_16_0_1_1438162549645_171327" dir="ltr"><span class="" id="yui_3_16_0_1_1438162549645_166594" dir="ltr"><br></span></div><div id="yui_3_16_0_1_1438162549645_171611" dir="ltr"><span class="" id="yui_3_16_0_1_1438162549645_166594" dir="ltr">Any help would be appreciated.</span></div><div id="yui_3_16_0_1_1438162549645_171339" dir="ltr"><span class="" id="yui_3_16_0_1_1438162549645_166594" dir="ltr">Best regards,</span></div><div id="yui_3_16_0_1_1438162549645_171340" dir="ltr"><span class="" id="yui_3_16_0_1_1438162549645_166594" dir="ltr">Said Asma</span></div><div id="yui_3_16_0_1_1438162549645_171341" dir="ltr"><span class="" id="yui_3_16_0_1_1438162549645_166594" dir="ltr">Faculty of sciences Monastir</span></div><div id="yui_3_16_0_1_1438162549645_171625" dir="ltr"><span class="" id="yui_3_16_0_1_1438162549645_166594" dir="ltr">Tunisia<br></span></div><pre id="yui_3_16_0_1_1438162549645_170508" class=""><br></pre><div class="" id="yui_3_16_0_1_1438162549645_165750"><div id="yui_3_16_0_1_1438162549645_166673" dir="ltr"><br class=""></div></div><div id="yui_3_16_0_1_1438162549645_166654"> </div><div id="yui_3_16_0_1_1438162549645_166645" class="signature"><div id="yui_3_16_0_1_1438162549645_166644"><div id="yui_3_16_0_1_1438162549645_166653" style="font-family: garamond, 'new york', times, serif; font-size: 16px; line-height: normal; background-color: transparent; font-style: italic;"><br>***********************************************</div><div id="yui_3_16_0_1_1438162549645_166652" style="line-height: normal;"><span id="yui_3_16_0_1_1438162549645_166651" style="background-color: rgb(255, 255, 255);"><span id="yui_3_16_0_1_1438162549645_166650" style="color: rgb(69, 69, 69); font-style: italic;"><span id="yui_3_16_0_1_1438162549645_166649" style="font-family: garamond, 'new york', times, serif; font-size: 16px;"><span id="yui_3_16_0_1_1438162549645_166648" style="color: rgb(0, 0, 0); font-style: normal;"><span id="yui_3_16_0_1_1438162549645_166647" style="font-style: italic;">Said Asma,</span></span><span style="color: rgb(0, 0, 0); font-style: normal;"><span style="font-style: italic;"> </span></span></span></span></span></div><div id="yui_3_16_0_1_1438162549645_166643" style="line-height: normal; color: rgb(0, 0, 0); font-size: 16px; font-family: garamond, 'new york', times, serif; background-color: transparent; font-style: italic;"><span id="yui_3_16_0_1_1438162549645_166642" style="background-color: rgb(255, 255, 255);"><span id="yui_3_16_0_1_1438162549645_166641" style="color: rgb(69, 69, 69); font-style: italic;"><span id="yui_3_16_0_1_1438162549645_166640" style="font-family: garamond, 'new york', times, serif; font-size: 16px;"><span id="yui_3_16_0_1_1438162549645_166639" style="color: rgb(0, 0, 0); font-style: normal;">PhD. LMCN,</span></span></span></span></div><div id="yui_3_16_0_1_1438162549645_167000" style="line-height: normal; color: rgb(0, 0, 0); font-size: 16px; font-family: garamond, 'new york', times, serif; background-color: transparent; font-style: normal;"><span id="yui_3_16_0_1_1438162549645_166999" style="background-color: rgb(255, 255, 255);"><span id="yui_3_16_0_1_1438162549645_166998" style="color: rgb(69, 69, 69); font-style: italic;"><span id="yui_3_16_0_1_1438162549645_166997" style="font-family: garamond, 'new york', times, serif; font-size: 16px;"><span id="yui_3_16_0_1_1438162549645_166996" style="color: rgb(0, 0, 0); font-style: normal;"><font id="yui_3_16_0_1_1438162549645_166995">Faculté des sciences de Monastir,</font></span></span><br></span><span id="yui_3_16_0_1_1438162549645_170527" style="font-style: italic; font-family: garamond, 'new york', times, serif; font-size: 16px;">Avenue de l'environnement 5019-Monastir,Tunisie</span></span></div><div id="yui_3_16_0_1_1438162549645_167002"><span id="yui_3_16_0_1_1438162549645_167001" style="background-color: rgb(255, 255, 255);"><span id="yui_3_16_0_1_1438162549645_167004" style="font-size: 16px; line-height: normal; font-style: italic; font-family: garamond, 'new york', times, serif;">E-mail :<a id="yui_3_16_0_1_1438162549645_167003" href="https://fr-mg42.mail.yahoo.com/neo/saidasma1987@yahoo.fr">saidasma1987@yahoo.fr</a></span></span></div><div id="yui_3_16_0_1_1438162549645_170621"><span id="yui_3_16_0_1_1438162549645_170620" style="background-color: rgb(255, 255, 255); font-family: garamond, 'new york', times, serif; font-size: 16px;">***********************************************</span></div></div></div></div></body></html>