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*** namelist &inputpp no longer valid: please use &bands instead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