<div dir="ltr"><div class="gmail_default" style="font-family:garamond,serif;font-size:large">​Dear Prof Blaha and wien2k users,,<br><br></div><div class="gmail_default" style="font-family:garamond,serif;font-size:large">According to <span><span itemtype="http://schema.org/Person" itemprop="author" class=""><span itemprop="name">Vivaldo Leiria Campo Jr</span></span> and <span itemtype="http://schema.org/Person" itemprop="author" class=""><span itemprop="name">Matteo Cococcioni the experimental band gap can be reproduced by using <br></span></span></span><h1 itemprop="headline" class=""><font size="4">Extended DFT + <i>U</i> + <i>V</i>
method with on-site and inter-site electronic interactions</font></h1><p>See <br></p><p><a href="http://iopscience.iop.org/article/10.1088/0953-8984/22/5/055602/meta">http://iopscience.iop.org/article/10.1088/0953-8984/22/5/055602/meta</a></p><p>- To what extend this method compares to TBmBJ?. <br></p><p>- If it is computationally less expensive will it to be considered in a new version of Wien2k?. <br></p><p>Regards</p><p></p><p>O A Yassin<br></p></div><br></div>