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<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>You see the comment on in1ef given in <a
href="http://www.wien2k.at/reg_user/updates/">http://www.wien2k.at/reg_user/updates/</a>
.<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>According to my experience too, in agreement with the above update
comment, the new in1ef switch is more efficient than the older in1new one
to avoid presence of ghostband. <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;color:#1F497D'>Sincerely
yours,<br>
S. Jalali<br>
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br>
Saeid Jalali Asadabadi,<br>
Department of Physics, Faculty of Science,<br>
University of Isfahan (UI), Hezar Gerib Avenue,<br>
81744 Isfahan, Iran.<br>
Phones:<br>
Dep. of Phys. :+98-0311-793 2435<br>
Office
:+98-0311-793 4176<br>
Fax No.
:+98-0311-793 2409<br>
E-mail
:sjalali@phys.ui.ac.ir<br>
Homepage :<a
href="http://sci.ui.ac.ir/~sjalali">http://sci.ui.ac.ir/~sjalali</a><br>
www
:<a href="http://www.ui.ac.ir">http://www.ui.ac.ir</a><br>
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/</span><span
style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p></o:p></span></p>
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<p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>From:</span></b><span
style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>
wien-bounces@zeus.theochem.tuwien.ac.at
[mailto:wien-bounces@zeus.theochem.tuwien.ac.at] <b>On Behalf Of </b>Ghosh
SUDDHASATTWA<br>
<b>Sent:</b> Thursday, May 27, 2010 9:17 AM<br>
<b>To:</b> 'A Mailing list for WIEN2k users'<br>
<b>Subject:</b> *** SPAM *** [2.7] [Wien] in1new or in1ef<o:p></o:p></span></p>
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<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal><span style='font-size:11.0pt'>Dear Wien2k users, <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>Can anybody tell me which one
is more efficient in finding out the best linearization energy; in1new or in1ef
<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>I have checked the UG and it
says about in1new <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>“the switch in1new N
preserves for N iterations the default ……. After the N iterations,
…….and a new case.in1 is generated”<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>Sorry for asking a freshman
question”<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>Given any initialization, if
we do <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>in1new 4 <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>-in1new 6<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>-in1new 8<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>Which one should we use to
get the best set of linearization energies. <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>Or –in1ef switch is
better? <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>Thank You <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'>Suddhasattwa Ghosh <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt'><o:p> </o:p></span></p>
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