[Pw_forum] error when running Bands.x

[Saikat Chakraborty]

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.cantele at 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 <saikatjuetce29 at 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 *** namelist &inputpp no longer valid: please use &bands instead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
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>
> --
>
> 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.cantele at 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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