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 *** namelist &inputpp no longer valid: please use &bands instead 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