<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><br><div><div>Il giorno 28/feb/2011, alle ore 10.33, patriot pershing ha scritto:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>dear all<br>i would create a pseudo file with SIC correction for Zn i have<br>prepared an input file and i have set a value for alpha parameters</div></blockquote><div><br></div><div>alpha parameters?</div><br><blockquote type="cite"><div> but<br>the ld1.x program don't work<br></div></blockquote><div><br></div><div>I don't think that ld1 has this capability yet. From the Doc:</div><div><br></div><div><div> Variable: isic</div><div> </div><div> Type: INTEGER</div><div> Description: 0 ... no Self-interaction correction</div><div> 1 ... apply Self-interaction correction</div><div> Default: 0</div><div> Status: only for all-electron calculation</div><div><br></div><div><br></div><div>Please notice the last line.</div><div><br></div><div><br></div><div><br></div></div><blockquote type="cite"><div>so if any one has a suggestion please inform me<br></div></blockquote><div><br></div><div>Yes, please sign your emails and put your affiliation. Thanks.</div><div><br></div><div><br></div><div><div>HTH</div><div><br></div><div>GS</div></div><br><blockquote type="cite"><div>best regards<br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://www.democritos.it/mailman/listinfo/pw_forum<br></div></blockquote></div><br><div>
<div><span class="Apple-style-span" style="color: rgb(126, 126, 126); font-size: 16px; font-style: italic; "><br class="Apple-interchange-newline">§ Gabriele Sclauzero, EPFL SB ITP CSEA</span></div><div><font class="Apple-style-span" color="#7E7E7E"><i> PH H2 462, Station 3, CH-1015 Lausanne</i></font></div>
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