<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><br><div><div>Il giorno 02/ago/2011, alle ore 19.47, Padmaja Patnaik ha scritto:</div><br class="Apple-interchange-newline"><div><meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1"><table cellspacing="0" cellpadding="0" border="0" style="position: static; z-index: auto; "><tbody><tr><td valign="top" style="font: inherit;"><blockquote type="cite">Hi All<br>While doing fully relativistic calculations one has to mention "noncolin= .TRUE., lspinorb= .TRUE.," in the scf input. <br><br></blockquote>Yes<br><br><blockquote type="cite">If then I proceed to do nscf calculations for DOS then should I mention these to variables again in the input?<br><br></blockquote>Yes<br> <br><blockquote type="cite">Please suggest.<br><br></blockquote>I did<br><br><blockquote type="cite"><br>With thanks and regards<br><br></blockquote>You're welcome<br><br>Padmaja Patnaik<br>
Research Scholar<br>
Dept of Physics<br>
IIT Bombay<br>
Mumbai, India</td></tr></tbody></table>_______________________________________________</div><blockquote type="cite">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></blockquote></div><br><div>
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