<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:8pt"><div><span>Hello Everyone,</span></div><div style="color: rgb(0, 0, 0); font-size: 10.6667px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><br><span></span></div><div style="color: rgb(0, 0, 0); font-size: 10.6667px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span>I'm making a convergence test to sample out the ideal lattice parameter of a nickel bulk structure.</span></div><div style="color: rgb(0, 0, 0); font-size: 10.6667px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><br><span></span></div><div style="color: rgb(0, 0,
0); font-size: 10.6667px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span>I want to know if you take the lattice prarameter from the curve by inspection or your have to fit it and take the lattice parameter from calculation.</span></div><div style="color: rgb(0, 0, 0); font-size: 10.6667px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><br><span></span></div><div style="color: rgb(0, 0, 0); font-size: 10.6667px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span>I'm using xmgrace for the plot and using Quantum Espresso for the work.</span></div><div style="color: rgb(0, 0, 0); font-size: 10.6667px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif;
background-color: transparent; font-style: normal;"><br><span></span></div><div style="color: rgb(0, 0, 0); font-size: 10.6667px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><span>Thank you.</span></div><div> Regards,<br><br>Elliot.<br><br></div><div><font size="1"><span style="font-weight:bold;text-decoration:underline;">Elliot Sarpong Menkah</span><br><font size="1">Graduate Student - Computatio<font size="1">nal Chemistry / Computational Material Science.<br><font size="1">Theoretical and Computational Chemistry<br>Dept. of Chemistry</font><br style="font-style:italic;"></font></font><span style="font-style:italic;">Kwame Nkrumah University of Science and Technology (KNUST),</span><br style="font-style:italic;"><span style="font-style:italic;">Private Mail Bag,</span><br style="font-style:italic;"><span style="font-style:italic;">Kumasi,</span><br
style="font-style:italic;"><span style="font-style:italic;">Ghana.</span><br>Mobile:+233-243-055-717,+233-202-<font size="1">9</font>2<font size="1">9-058</font><br><br><br>Alt. Email: elliotsmenkah@gmail.com</font></div><div><font size="1"><span class="tab"> </span><span class="tab"> </span><span class="tab"> </span></font><span class="tab"><font size="1"> elliotsmenkah@hotmail.com<br><br>webpage: http://archive.knust.edu.gh/pages/sections.php?siteid=chemistry&mid=806&sid=2754<br></font></span></div><div><span></span></div></div></body></html>