<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">the variable calculation is for a pw.x calculation, not for bands.x, so the latter complains about an<div class="">unexpected variable. Remove it from the &bands namelist and it should work.</div><div class=""><br class=""></div><div class="">Giovanni<br class=""><div class=""><div class=""><br class=""></div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 17 Mar 2015, at 10:33, Saikat Chakraborty <<a href="mailto:saikatjuetce29@gmail.com" class="">saikatjuetce29@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Hello,<div class=""><br class=""></div><div class="">I am trying to plot bandstructure of Silicon in espresso-5.1.1 </div><div class="">The scf run and the band run worked fine with pw.x</div><div class="">But when I am trying to run bands.x with the input file <a href="http://bands.in/" class="">bands.in</a> it is always showing the following error message-----></div><div class=""><br class=""></div><div class=""><div class=""> Program BANDS v.5.1.1 starts on 17Mar2015 at 14:50:48 </div><div class=""><br class=""></div><div class=""> This program is part of the open-source Quantum ESPRESSO suite</div><div class=""> for quantum simulation of materials; please cite</div><div class=""> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</div><div class=""> URL <a href="http://www.quantum-espresso.org/" class="">http://www.quantum-espresso.org</a>", </div><div class=""> in publications or presentations arising from this work. More details at</div><div class=""> <a href="http://www.quantum-espresso.org/quote" class="">http://www.quantum-espresso.org/quote</a></div><div class=""><br class=""></div><div class=""> Serial version</div><div class="">*** namelist &inputpp no longer valid: please use &bands instead</div><div class=""> Error in routine bands (1):</div><div class=""> reading bands namelist</div><div class=""><br class=""></div><div class=""> stopping ...</div><div class="">STOP 1</div></div><div class=""><br class=""></div><div class=""><br class=""></div><div class="">I am using the input file bands.in-------></div><div class=""><br class=""></div><div class=""><div class="">&bands</div><div class=""> prefix='silicon',</div><div class=""> pseudo_dir ="./",</div><div class=""> outdir="./tmp/" ,</div><div class=""> calculation='bands' ,</div><div class=""> /</div></div><div class=""><br class=""></div><div class="">Any idea why I am getting this error?</div><div class=""><br class=""></div><div class="">Thanks and regards,</div><div class="">Saikat</div></div>
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-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class="">e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" class="">giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" class="">http://www.researcherid.com/rid/A-1951-2009</a><br class="">Web page: <a href="http://people.na.infn.it/~cantele" class="">http://people.na.infn.it/~cantele</a><br class="">
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