[Pw_forum] error when running Bands.x

[vasu v]

prefix should be exactly same as that of used in scf and nscf calculations.

also
you can try

You can try this

&bands
    prefix  = 'silicon'
     outdir='/home/.../cnt/tmp/'
    filband = 'siliconbands.dat'
/
with regards
vasu v

On Tue, Mar 17, 2015 at 4:27 PM, Saikat Chakraborty <
saikatjuetce29 at gmail.com> wrote:

> 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 *** namelist &inputpp no longer valid: please use &bands instead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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>>
>
>
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-- 
Dr. V.Vasu
Associate Professor
School of Physics
Madurai Kamaraj University
Madurai - 625021

Ph: 9443796898
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