<div dir="ltr"><div>Dear qe experts,</div><div>I use QE 6.4.1 on ubuntu pc configured for parallel running. i am trying to calculate bandstructure of iron.I am able to get scf.out file and bands.out file through pw.x, but i am unable to extract eigen value information using bands.x. I run into some namelist error.</div><div>  Program BANDS v.6.4.1 starts on 20Jul2020 at  7:56:15 <br><br>     This program is part of the open-source Quantum ESPRESSO suite<br>     for quantum simulation of materials; please cite<br>         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br>         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);<br>          URL <a href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</a>", <br>     in publications or presentations arising from this work. More details at<br>     <a href="http://www.quantum-espresso.org/quote">http://www.quantum-espresso.org/quote</a><br><br>     Parallel version (MPI), running on     2 processors<br><br>     MPI processes distributed on     1 nodes<br>     R & G space division:  proc/nbgrp/npool/nimage =       2<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine bands (5010):<br>     reading bands namelist<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping <br></div><div><br></div><div>this is the input file <a href="http://bandsx.in">bandsx.in</a></div><div>&BANDS<br>  outdir = './out',<br>  prefix = 'fe',<br>  fillband = 'febands.dat',<br>/</div><div><br></div><div>this is the <a href="http://scf.in">scf.in</a> file</div><div> &CONTROL<br>    calculation = "scf"<br>    max_seconds =  8.64000e+04<br>    pseudo_dir= "."<br>    outdir='./out'<br>    prefix='fe'<br>/<br><br>&SYSTEM<br>    a                         =  2.84812e+00<br>    angle1(1)                 =  0.00000e+00<br>    angle2(1)                 =  0.00000e+00<br>    degauss                   =  1.00000e-02<br>    ecutrho                   =  4.96000e+02<br>    ecutwfc                   =  7.00000e+01<br>    ibrav                     = 1<br>    nat                       = 2<br>    nspin                     = 2<br>    ntyp                      = 1<br>     occupations               = "smearing"<br>    smearing                  = "gaussian"<br>    starting_magnetization(1) =  0.00000e+00<br>    nbnd=24<br>/<br><br>&ELECTRONS<br>    conv_thr         =  1.00000e-06<br>    electron_maxstep = 200<br>    mixing_beta      =  4.00000e-01<br>    startingpot      = "atomic"<br>    startingwfc      = "atomic+random"<br>/<br><br>   <br>K_POINTS {automatic}<br> 4  4  4  0 0 0<br><br>ATOMIC_SPECIES<br>Fe     55.84500  Fe.pbe-n-rrkjus_psl.1.0.0.UPF<br><br>ATOMIC_POSITIONS {angstrom}<br>Fe      0.000000   0.000000   0.000000<br>Fe      1.424058   1.424058   1.424058</div><div> please help I have tried everything...</div><div> Thank you.<br></div></div>