Thank you. I removed it. That error is gone. But another error is coming ------->
Error in routine pw_readfile (1): error opening xml data file what to do for this? On Tue, Mar 17, 2015 at 4:09 PM, Giovanni Cantele < giovanni.cant...@spin.cnr.it> wrote: > 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 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", > in publications or presentations arising from this work. More details > at > 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 *** namelist &inputpp no longer valid: please use &bands instead 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 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum