<div dir="ltr">Dear users,<div>                      I am learning Quantum espresso, then I am following the tutorial: Advanced Materials and Molecular Modelling with Quantum ESPRESSO. In Day-1, example1.benzene I am following the instructions:</div><div><br></div><div>pw.x SCF calculation as to calculate Kohn-Sham states <br>pw.x < <a href="http://pw.benzene.scf.in">pw.benzene.scf.in</a> > pw.benzene.scf.out<br>
pp.x (post-processing) calculation of all valence and LUMO molecular orbitals ( actually sign(psi®) * |psi®|^2 ) <br>pp.x < <a href="http://pp.benzene.psi2.in">pp.benzene.psi2.in</a> > pp.benzene.psi2.out<br><br>but a pp.x has a error</div><div><br></div><div>This is the output:</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine postproc (5010):<br>     reading inputpp namelist<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br></div><div><br></div><div>and the file crash:</div><div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     task #         0<br>     from postproc : error #      5010<br>     reading inputpp namelist<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br><div>The input pp is:</div><div><br></div><div> &INPUTPP<br>    prefix    =  'benzene',<br>    filplot   =  'psi2.benzene',<br><br>    plot_num  =  7,<br>    kpoint    =  1, <br>    kband(1)  =  1,<br>    kband(2)  =  16,    <br>    lsign     =  .true.,<br> /<br><br><br> &PLOT<br>    fileout       =  '.xsf',<br>    iflag         =  3,<br>    nfile         =  1,<br>    output_format =  5,<br>    weight(1)     =  1.0,<br> /<br><br></div><div>I really appreciate some help with that. I tried to find the mistake on-line but I did not find it.</div><div><br></div>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><font color="#888888" face="arial, sans-serif"><span style="font-size:12px">Alba Yanina Ramos</span></font></div><div><font color="#888888" face="arial, sans-serif"><span style="font-size:12px">Universidad Nacional del Nordeste</span></font></div><div><font color="#888888" face="arial, sans-serif"><span style="font-size:12px">Argentina.</span></font></div></div></div></div></div></div></div>