[Pw_forum] error when running Bands.x

[Saikat Chakraborty]

It is running now. Thank you very much Mr.Vasu V .

On Tue, Mar 17, 2015 at 7:21 PM, Saikat Chakraborty <
saikatjuetce29 at gmail.com> wrote:

> I have used prefix='silicon' when doing pw.x
>
> prefix  = 'silicon'
>      outdir='/home/.../cnt/tmp/'
>     filband = 'siliconbands.dat'
> /
>
> This also giving me the same error----->
>
> Error in routine pw_readfile (1):
>      error opening xml data file
> What is going wrong?
>
> Thanks and regards,
> Saikat
>
>
> On Tue, Mar 17, 2015 at 4:51 PM, vasu v <vasumku at gmail.com> wrote:
>
>> 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 *** namelist &inputpp no longer valid: please use &bands instead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
>>>> _______________________________________________
>>>> Pw_forum mailing list
>>>> Pw_forum at 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.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
>>>>
>>>>
>>>> _______________________________________________
>>>> Pw_forum mailing list
>>>> Pw_forum at pwscf.org
>>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>>
>>>
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>>
>>
>> --
>> Dr. V.Vasu
>> Associate Professor
>> School of Physics
>> Madurai Kamaraj University
>> Madurai - 625021
>>
>> Ph: 9443796898
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150317/8b3f24b6/attachment.html>