<div dir="ltr">Hi,<br><div><br></div><div>What's the temperature of the output electronic properties, even if we use 298 K cell info (atom position) as an input?</div><div><span style="color:rgb(12,13,14);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-size:15px"> Normally to prepare input file (structure of materials) for QE, I searched the corresponding CIF file from this website (</span><a href="http://www.crystallography.net/cod/result.php" rel="nofollow noreferrer" style="margin:0px;padding:0px;border:0px;font-variant-numeric:inherit;font-variant-east-asian:inherit;font-variant-alternates:inherit;font-stretch:inherit;line-height:inherit;font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-kerning:inherit;font-feature-settings:inherit;font-size:15px;vertical-align:baseline;box-sizing:inherit">http://www.crystallography.net/cod/result.php</a><span style="color:rgb(12,13,14);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-size:15px">), after that I use Vesta to get the relevant atomic positions and lattice parameter. I have a question regarding that. Most of the CIF files cell temperature are at 298 K, so if we use the structural data from that CIF (298 K) and run QE( after performing </span><span style="color:rgb(12,13,14);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-size:13px">Optimizing atomic positions (<a href="http://relax.in">relax.in</a>), optimizing Unit cell (<a href="http://vc-relax.in">vc-relax.in</a>))</span><span style="color:rgb(12,13,14);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-size:15px"> to find electronic properties (e.g, density of states, fermi level), Are the output data of QE represent the temperature of 0 K?</span></div><div><span style="color:rgb(12,13,14);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-size:15px"><br></span></div><div><span style="color:rgb(12,13,14);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-size:15px">Thanks</span></div><div><span style="color:rgb(12,13,14);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-size:15px"><br></span></div><div><span style="color:rgb(12,13,14);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-size:15px">Best</span></div><div><span style="color:rgb(12,13,14);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-size:15px">Md Jahid Hasan</span></div><div><span style="color:rgb(12,13,14);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-size:15px">PhD Student</span></div><div><span style="color:rgb(12,13,14);font-family:-apple-system,BlinkMacSystemFont,"Segoe UI Adjusted","Segoe UI","Liberation Sans",sans-serif;font-size:15px">University of Maine</span></div></div>