<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span>Dear Prof. Tran</span></div><div><span>Thank you very much for your replay.</span></div><div><span><br></span></div><div><span>what about mbj+U? should I use case. </span> ineece ?</div><div>Best Regards</div><div>Ali<br></div><div><br></div> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font face="Arial" size="2"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> "tran@theochem.tuwien.ac.at" <tran@theochem.tuwien.ac.at><br> <b><span style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Sent:</span></b> Monday, July 9, 2012 9:10 AM<br> <b><span
style="font-weight: bold;">Subject:</span></b> Re: [Wien] GGA+U and case. ineece<br> </font> </div> <br>
case. ineece is only for hybrid functionals. For GGA+U you need<br>case.indm and case.inorb.<br><br>On Sun, 8 Jul 2012, ali ghafari wrote:<br><br>> Dear Prof. Blaha and users<br>> <br>> <br>> Is it necessary to use 'case. ineece' in all functionals in the GGA+U method, or it should be used only for Hybrid functional in the GGA+U method?<br>> Best Regards<br>> Ali<br>_______________________________________________<br>Wien mailing list<br><a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br><br><br> </div> </div> </div></body></html>