<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_ym18_1_1459593247760_14718"><span>Dear wien users.</span></div><div dir="ltr" id="yui_3_16_0_ym18_1_1459593247760_14743"><span id="yui_3_16_0_ym18_1_1459593247760_14805">is the switch <font id="yui_3_16_0_ym18_1_1459593247760_14952" color="#fdef2b"><font id="yui_3_16_0_ym18_1_1459593247760_15024" color="#4c76a2">"-in1new 3 -in1orig</font>" </font>sufficient to do optimization+relaxation?</span></div><div id="yui_3_16_0_ym18_1_1459593247760_15067" dir="ltr"><span id="yui_3_16_0_ym18_1_1459593247760_15167">or, we use only the switch <font color="#4c76a2">-in1new3</font>; and after 3 cycles we change </span><br>the energy increment from its value 0.000 to 0.001 for semi-core states?</div><div id="yui_3_16_0_ym18_1_1459593247760_15249" dir="ltr"><br></div><div id="yui_3_16_0_ym18_1_1459593247760_15269" dir="ltr">with best regards.<br></div><div id="yui_3_16_0_ym18_1_1459593247760_14800" class="signature"><div id="yui_3_16_0_1_1453821081256_6989"><i id="yui_3_16_0_ym18_1_1459593247760_14799">******************************************************<br><span id="yui_3_16_0_ym18_1_1459593247760_15224" style="background-color:rgb(112, 172, 237);"><b id="yui_3_16_0_ym18_1_1459593247760_15223">Nacir GUECHI</b></span><br></i></div><div id="yui_3_16_0_1_1453821081256_6985"><i>Docteur en Physique du solide.</i></div><div id="yui_3_16_0_1_1453821081256_6981"><i id="yui_3_16_0_ym18_1_1459593247760_15302">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_ym18_1_1459593247760_14950">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 id="yui_3_16_0_ym18_1_1459593247760_14964"><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></body></html>