<html><head></head><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:16px"><div id="yui_3_16_0_ym19_1_1483991986285_4886"><span>Hi.</span></div><div id="yui_3_16_0_ym19_1_1483991986285_4955" dir="ltr"><span id="yui_3_16_0_ym19_1_1483991986285_5030">it's a </span>recommended option: "use charge extrapolation" but isn't necessary. so, try with both and compare results.<br></div><div id="yui_3_16_0_ym19_1_1483991986285_5078"> </div><div class="signature" id="yui_3_16_0_ym19_1_1483991986285_5033"><div id="yui_3_16_0_1_1453821081256_6989"><i id="yui_3_16_0_ym19_1_1483991986285_5032">******************************************************<br><span style="background-color:rgb(112, 172, 237);"><b>Nacir GUECHI</b></span><br></i></div><div id="yui_3_16_0_1_1453821081256_6985"><i>Dr. Physique de la matière solide.</i></div><div id="yui_3_16_0_1_1453821081256_6981"><i id="yui_3_16_0_ym19_1_1483991986285_5123">Enseignant-Chercheur à l'université du <a rel="nofollow" target="_blank" href="http://www.univ-medea.dz/fr/">Dr. Yahia FARES de Médéa</a>, Algeria (<cite class="_Rm">www.<b>univ-media</b>.dz</cite>).</i></div><div id="yui_3_16_0_1_1453821081256_6975"><i id="yui_3_16_0_ym19_1_1483991986285_5122">Laboratoire d'études des surfaces et interfaces des matériaux solides (L.E.S.I.M.S), université Sétif1 (Algeria)</i></div><div id="yui_3_16_0_1_1453821081256_7000"><i><a rel="nofollow" id="yui_3_16_0_1_1453821081256_6999" target="_blank" href="http://laboratoires.univ-setif.dz/L.E.S.I.M.S/">http://laboratoires.univ-setif.dz/L.E.S.I.M.S/</a></i></div></div> <div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: times new roman, new york, times, serif; font-size: 16px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"><font size="2" face="Arial"> Le Lundi 9 janvier 2017 20h36, Abderrahmane Reggad <jazairdz@gmail.com> a écrit :<br></font></div> <br><br> <div class="y_msg_container"><div id="yiv1624035766"><div dir="ltr"><div>Dear again<br><br></div>For the Optimize.job script as for the 2Doptimize.job script it's necessary to uncomment the following line for spin-polarized case :<br><br># recommended option: use charge extrapolation<br> <b>clmextrapol_lapw ------> # </b><b>clmextrapol_lapw</b><br> if (-e NiS-afmI-opt2D_E09.clmup && \<br> ! -z NiS-afmI-opt2D_E09.clmup ) then<br> clmextrapol_lapw -up<br> clmextrapol_lapw -dn<br> endif<br clear="all"><div><div><br></div><div>best regards<br></div><div>-- <br><div class="yiv1624035766gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-family:monospace;"><div><font size="2"><span style="color:rgb(0,0,255);">Mr: A.Reggad</span> <br><span style="background-color:rgb(238,238,238);"><span style="color:blue;">Laboratoire de Génie Physique</span></span><br></font></div><font size="2"><span style="color:rgb(0,0,255);">Université Ibn Khaldoun - Tiaret</span><br></font></div><div style="font-family:monospace;"><font color="#0000ff" size="2">Adresse: BP 144 AL ATTAF AIN DEFLA <br></font></div><div style="font-family:monospace;"><font color="#0000ff" size="2">Tel: +213(0)561861963</font></div><div><font size="2"><span style="font-family:monospace;"><span style="color:rgb(0,0,255);">Algerie</span></span></font><br></div><div><div><br><span style="font-family:times new roman, serif;"><span style="color:blue;"></span></span><br></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>
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