[Pw_forum] error when running Bands.x

Saikat Chakraborty saikatjuetce29 at gmail.com
Tue Mar 17 10:33:30 CET 2015


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*** namelist &inputpp no longer valid: please use &bands instead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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