<div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><span><span class="gmail-m_8300727114824896355gmail-Linkify">Dear QE experts,</span></span><br><span><span class="gmail-m_8300727114824896355gmail-Linkify"></span></span><div dir="ltr"><div dir="ltr">How can we generate the pseudo-potential (by <span><span class="gmail-m_8300727114824896355gmail-Linkify"><span><span class="gmail-Linkify">virtual.x distribution of Quantum Espresso) t</span></span>o simulate properties of random miscible alloys such as AlxGa1-xN
as the specific system of interest. <br>The valence configuration of Alluminium and Gallium is different (with and without d electron) so I've met a false. How can I solve it.<br>Further, is is possible that wit QE we could use VCA with the <i>PBEsol</i>
exchange-correlation (xc) functional then (if it is possible? ) use VCA with the
TB09-MGGA xc-functional for bandstructure derived calculation.<br></span></span></div><div><span><span class="gmail-m_8300727114824896355gmail-Linkify">Is any references?<br></span></span></div><div><span><span class="gmail-m_8300727114824896355gmail-Linkify">Many thanks and regards,<br></span></span></div><div><span><span class="gmail-m_8300727114824896355gmail-Linkify">Tuoc Vu<br></span></span></div><div dir="ltr"><span><span class="gmail-m_8300727114824896355gmail-Linkify"><br></span></span></div></div></div></div></div></div>