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<div class="moz-cite-prefix">lorb = 2 in case.inorb and l = 2 in
case.indm [1-3]<br>
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[1]
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2009-March/012306.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2009-March/012306.html</a><br>
[2]
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-July/003071.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-July/003071.html</a><br>
[3] For additional information on case.inorb and case.indm, see
section "7.3.3 Input" and section "7.9.3 Input" in the WIEN2k 14.2
usersguide, respectively:
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a><br>
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On 12/27/2014 8:39 AM, Abed Reg wrote:<br>
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Dear wien2k users<br>
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I'm doing a calculation of transition-metal material NiO with
the LDA+U methode and I want to know how to set the correlated
states (d orbitals) .<br>
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I will be very grateful<br>
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<div>-- <br>
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<div><font><span
style="color:rgb(0,0,255)">Mr:
A.Reggad</span>
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<span
style="background-color:rgb(238,238,238)"><span
style="color:blue">Laboratoire
de Génie Physique</span></span><br>
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<font><span
style="color:rgb(0,0,255)">Université
Ibn Khaldoun - Tiaret</span><br>
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<div><font><span
style="font-family:monospace"><span
style="color:rgb(0,0,255)">Algerie</span></span></font><br>
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