<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:12pt"><div><pre style="font-family: 'Courier New'; "><pre style="font-family: 'Courier New'; "><span style="font-family: arial, helvetica, sans-serif; ">Dear all,
I would like to use matdyn.x to calculate</span><span style="font-family: arial, helvetica, sans-serif; "> <span class="yshortcuts cs4-visible" id="lw_1334749667_0" style="cursor: pointer; color: rgb(54, 99, 136); border-bottom-width: 2px; border-bottom-style: dotted; border-bottom-color: rgb(54, 99, 136); ">phonon</span> dos </span><span style="font-family: arial, helvetica, sans-serif; ">but i don't know the difference between </span></pre><pre style="font-family: 'Courier New'; "><span style="font-family: arial, helvetica, sans-serif; ">(1): making a 2*2*2 <span class="yshortcuts cs4-visible" id="lw_1334749667_1" style="cursor: pointer; color: rgb(54, 99, 136); border-bottom-width: 2px; border-bottom-style: dotted; border-bottom-color: rgb(54, 99, 136); ">supercell</span> </span><em style="font-style: normal; font-family: arial, sans-serif; line-height: 11px; white-space: normal; ">and running</em><span style="color: rgb(34, 34, 34);
font-family: arial, sans-serif; line-height: 11px; white-space: normal; "> ph.x calculation for </span><em style="font-style: normal; font-family: arial, sans-serif; line-height: 11px; white-space: normal; ">supercell and then </em><em style="font-style: normal; font-family: arial, sans-serif; line-height: 11px; white-space: normal; ">running</em><span style="color: rgb(34, 34, 34); font-family: arial, sans-serif; line-height: 11px; white-space: normal; "> matdyn.x to calculte phonon dos</span></pre><pre style="font-family: 'Courier New'; "><span style="color: rgb(34, 34, 34); font-family: arial, sans-serif; line-height: 11px; white-space: normal; "> and</span></pre><pre style="font-family: 'Courier New'; "><span style="color: rgb(34, 34, 34); font-family: arial, sans-serif; line-height: 11px; white-space: normal; ">(2): </span><em style="font-style: normal; font-family: arial, sans-serif; line-height: 11px; white-space:
normal; "> running</em><span style="color: rgb(34, 34, 34); font-family: arial, sans-serif; line-height: 11px; white-space: normal; "> ph.x calculation for </span><em style="font-style: normal; font-family: arial, sans-serif; line-height: 11px; white-space: normal; ">unit cell</em><em style="font-style: normal; font-family: arial, sans-serif; line-height: 11px; white-space: normal; "> (or </em><em style="font-style: normal; font-family: arial, sans-serif; line-height: 11px; white-space: normal; ">primitive cell</em><em style="font-style: normal; font-family: arial, sans-serif; line-height: 11px; white-space: normal; ">) and then matdyn.x for supercell (for l1=2, l2=2, l3=2).</em></pre><span style="font-family: arial, helvetica, sans-serif; ">(first needs more time and second is very fast)</span></pre><pre style="font-family: 'Courier New'; "><span style="font-family: arial, helvetica, sans-serif; ">what is the difference
between them?</span></pre><pre style="font-family: 'Courier New'; "><i style="font-family: arial, helvetica, sans-serif; "><br></i></pre><pre style="font-family: 'Courier New'; "><i style="font-family: arial, helvetica, sans-serif; ">thanks a lot</i><br></pre><pre style="font-family: 'Courier New'; "><span style="font-family: arial, helvetica, sans-serif; font-style: italic; ">babraram</span></pre></div></div></body></html>