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<p>Dear Wien2k developers and users..</p>
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<p>1- When it is useful to use LDA+U correction with constant V-matrix?.</p>
<p>2- Is it only applicable with LDA?</p>
<p>3- What are the necessary steps to do it?. Is the procedure, suggested by F Tran, the only way to do LDA+U correction with constant V-matrix?</p>
<p><a href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2015-December/024014.html" class="OWAAutoLink" id="LPlnk504216" previewremoved="true">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2015-December/024014.html</a><br>
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<pre>1) change manually the occupation (that you need to know) in
case.dmatup/dn of a LDA+U calculation,
2) execute "x orb -up/dn" to generate case.vorbup/dn
3) run LDA+U with -orbc instead of -orb
4) save the contrained calculation when it is finished
4) run LDA+U or mBJ as usual.</pre>
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<p>4- Can you please give an interpretation of the case.dmatup/dn file?.</p>
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<p>Best regards<br>
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<p>Osama<br>
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