<div dir="ltr"><div><div>Dear qe users, <br></div>I want to use epsilon.x to calculate optical property, but it shows error like below.<br></div>My system has 40 atoms.<br><div><div><div><br><b>Input file</b><br clear="all"><div>

<p class="gmail-MsoPlainText"><span style="font-family:"courier new"">&inputpp<br>
outdir='./out/'<br>
prefix='SiH'<br>
calculation='eps'<br>
/<br>
&energy_grid<br>
smeartype='gauss'<br>
intersmear=0.136d0<br>
intrasmear=0.0d0<br>
wmax=20.0d0<br>
wmin=0.0d0<br>
nw=200<br>
shift=0.0d0<br>
nosym = .TRUE.<br>
noinv = .TRUE.<br>
/<br>
</span></p>

<b>output file</b><br>

<p class="gmail-MsoPlainText"><span style="font-family:"courier new""><span>     </span>Program epsilon v.5.2.0 starts on
22Apr2017 at 14:31:18 <br>
<br>
<span>     </span>This program is part of the
open-source Quantum ESPRESSO suite<br>
<span>     </span>for quantum simulation of materials;
please cite<br>
<span>         </span>"P. Giannozzi et al., J.
Phys.:Condens. Matter 21 395502 (2009);<br>
<span>          </span>URL
<a href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</a>", <br>
<span>     </span>in publications or presentations
arising from this work. More details at<br>
<span>    
</span><a href="http://www.quantum-espresso.org/quote">http://www.quantum-espresso.org/quote</a><br>
<br>
<span>     </span>Parallel version (MPI), running
on<span>    </span>16 processors<br>
<span>     </span>R & G space division:<span>  </span>proc/nbgrp/npool/nimage =<span>      </span>16<br>
<br>
<br>
<span>     </span>Reading input file...<br>
<br>
<span> </span>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<span>     </span>Error in routine epsilon (19):<br>
<span>     </span>reading namelist ENERGY_GRID<br>
<span> </span>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
<span>     </span>stopping ...<br>
</span></p>

</div><div>-- <br><div class="gmail_signature"><div dir="ltr"><div><div><div><div dir="ltr"><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline;float:none;background-color:rgb(255,255,255)">Thanks & Regard</span><br style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)"><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline;float:none;background-color:rgb(255,255,255)"> </span><br style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)"><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline;float:none;background-color:rgb(255,255,255)">Jariwala P. H.<br style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)"></span><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline;float:none;background-color:rgb(255,255,255)">Research Scholar,</span><br style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)"><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline;float:none;background-color:rgb(255,255,255)">Department of Physics ,</span><br style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)"><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline;float:none;background-color:rgb(255,255,255)">V. N. S. G. University</span><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline;float:none;background-color:rgb(255,255,255)"></span><br style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)"><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline;float:none;background-color:rgb(255,255,255)">e-mail :  <a href="mailto:pinankjariwala@gmail.com" target="_blank">pinankjariwala@gmail.com</a></span><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:12.7273px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;display:inline;float:none;background-color:rgb(255,255,255)"></span><br></div></div></div></div></div></div>
</div></div></div></div></div>