<div dir="ltr">Sir, If I remove nosym and noinv then it gives error like below, so I put those two<div><br></div><div><b style="font-size:12.8px">Input file</b><br clear="all" style="font-size:12.8px"><div style="font-size:12.8px"><p class="gmail-m_2729854594356339863gmail-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-m_2729854594356339863gmail-MsoPlainText"><span style="font-family:"courier new""> Reading input file...<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br> Error in routine epsilon (19):<br> </span><i style="color:rgb(0,0,0);font-size:12.8px">non unifrom kpt grid</i></p><p class="gmail-m_2729854594356339863gmail-MsoPlainText"><span style="font-family:"courier new""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br><br> stopping ...</span></p></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Thu, Apr 27, 2017 at 6:10 PM, Giovanni Cantele <span dir="ltr"><<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank">giovanni.cantele@spin.cnr.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word"><div>From PP/src/epsilon.f90:</div><div><br></div> NAMELIST / inputpp / prefix, outdir, calculation<br> NAMELIST / energy_grid / <wbr>smeartype, intersmear, intrasmear, nw, wmax, wmin, &<br> nbndmin, nbndmax, shift<br><br>It seems to me that variables nosym and noinv are not allowed in namelist energy_grid<div><br></div><div>Giovanni<br><br><div><blockquote type="cite"><div><div class="h5"><div>On 27 Apr 2017, at 14:29, Pinank Jariwala <<a href="mailto:pinankjariwala@gmail.com" target="_blank">pinankjariwala@gmail.com</a>> wrote:</div><br class="m_5588796110878681555Apple-interchange-newline"></div></div><div><div><div class="h5"><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="m_5588796110878681555gmail-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="m_5588796110878681555gmail-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/" target="_blank">http://www.quantum-espresso.<wbr>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" target="_blank">http://www.quantum-espresso.<wbr>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>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br>
<span> </span>Error in routine epsilon (19):<br>
<span> </span>reading namelist ENERGY_GRID<br>
<span> </span>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br>
<br>
<span> </span>stopping ...<br>
</span></p>
</div><div>-- <br><div class="m_5588796110878681555gmail_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. 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<div style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word">-- <br><br>Giovanni Cantele, PhD<br>CNR-SPIN<br>c/o Dipartimento di Fisica<br>Universita' di Napoli "Federico II"<br>Complesso Universitario M. S. Angelo - Ed. 6<br>Via Cintia, I-80126, Napoli, Italy<br>e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank">giovanni.cantele@spin.cnr.it</a><br>Phone: +39 081 676910<br>Skype contact: giocan74<br><br>ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" target="_blank">http://www.researcherid.com/<wbr>rid/A-1951-2009</a><br>Web page: <a href="http://people.fisica.unina.it/~cantele" target="_blank">http://people.fisica.unina.it/<wbr>~cantele</a><br></div>
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