<p style="MARGIN: 0in 0in 10pt"><font face="Calibri">Dear<span> </span>wien<span> </span>users,</font></p>
<p style="MARGIN: 0in 0in 10pt"><font face="Calibri">Hello. As part of my thesis I need the electronic velocity of some bulk metals in reciprocal space:</font></p>
<p style="MARGIN: 0in 0in 10pt"><font face="Calibri"><span> </span>V(k<sub>x</sub>, k<sub>y</sub>, k<sub>z</sub>) = ?</font></p>
<p style="MARGIN: 0in 0in 10pt"><font face="Calibri">I tried to differentiate the calculated band structure of Wien2k with respect to " K" </font><span><font face="Calibri">but I had the following problems:</font></span></p>
<p style="MARGIN: 0in 0in 0pt 0.5in; TEXT-INDENT: -0.25in"><span><span><font face="Calibri">1.</font><span> </span></span></span><span dir="ltr"></span><span><font face="Calibri">I can't realize what the direction of each calculated band is.</font></span></p>
<p style="MARGIN: 0in 0in 10pt 0.5in; TEXT-INDENT: -0.25in"><span><span><font face="Calibri">2.</font><span> </span></span></span><span dir="ltr"></span><span><font face="Calibri">I tried the Xcrysden and chose some directions for k_path selections in the reciprocal and direct conventional cells, but I don't know whether this is allowed or how many of such paths I should choose.</font></span></p>
<p style="MARGIN: 0in 0in 10pt"><span><font face="Calibri">I also studied the Fortran files of BoltzTrap, which maybe uses the similar calculations, but I could not find out how it does.</font></span></p>
<p style="MARGIN: 0in 0in 10pt"><span><font face="Calibri">I will be very grateful if somebody guides me through this calculation of velocity.</font></span></p>
<p style="MARGIN: 0in 0in 10pt"><span><font face="Calibri">Bahram Abedi</font></span></p>
<p style="MARGIN: 0in 0in 10pt"><span><font face="Calibri">Tarbiat Modares Univrsity, Tehran , Iran</font></span></p>