<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">That means the parameter or format for the card K_POINTS {automatic} is wrong in your Si.band.in.<br>Please provide your input file, no person can point out the exact error due to the lack of information.<br><br><div>--<br>GAO Zhe<br>CMC Lab, Materials Science & Engineering Department,<br>Seoul National University, South Korea<br>
</div><div id="divNeteaseMailCard"></div><br>At 2012-07-16 21:29:38,"Nyaruanda Calvince" <subacalvince@gmail.com> wrote:<br> <blockquote id="isReplyContent" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid"><div>am a new user .</div><div>am running mpirun -np 2 pw.x < <a href="http://Si.band.in">Si.band.in</a> > Si.band.out calculation. The following is my output:</div><div><br></div><div> This program is part of the open-source Quantum ESPRESSO suite</div>
<div> for quantum simulation of materials; please cite</div><div> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</div><div> URL <a href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</a>",</div>
<div> in publications or presentations arising from this work. More details at</div><div> <a href="http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO">http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO</a></div>
<div><br></div><div> Parallel version (MPI), running on 2 processors</div><div> R & G space division: proc/pool = 2</div><div><br></div><div> Current dimensions of program PWSCF are:</div><div> Max number of different atomic species (ntypx) = 10</div>
<div> Max number of k-points (npk) = 40000</div><div> Max angular momentum in pseudopotentials (lmaxx) = 3</div><div> Waiting for input...</div><div> Reading input from stdin</div><div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div> from card_kpoints : error # 1</div><div> error while reading automatic k points</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div> stopping ...</div>
<div><br></div><div>Additionally, from my command line the following error messages appear after the above run command.</div><div>may you help me please. </div><div>Regards</div>
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