[QE-users] Error in average.x

[Ubaid Mohd]

Thanks a ton sir.
It works.

*Mohammad Ubaid*
*PhD Research Scholar*
*Department of Physics*
*Jamia Millia Islamia University*
*New Delhi - 110025*


On Tue, Mar 12, 2019 at 6:35 PM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> "average.x" reads from terminal, so you may either type
> $ average.x
> ($ = prompt) followed by input data at the terminal; or redirect the input
> from an existing file with the needed data:
> $ average.x < some-file
> where some-file exists and its content is:
> 1
> bpcn.pot
> 1.D0
> 1440
> 3
> 3.835000000
>
> Reading from an empty file or using "average.x -in some-file-name" may
> lead to the error you get
>
> Paolo
>
> On Tue, Mar 12, 2019 at 1:54 PM Ubaid Mohd <onlymubaid at gmail.com> wrote:
>
>> Actually sir my input file is
>> 1
>> bpcn.pot
>> 1.D0
>> 1440
>> 3
>> 3.835000000
>> Before doing this I use the pp.in as:
>> &inputpp
>>     outdir = 'BPC3N'
>>     prefix = 'bl'
>>     filplot = 'bpcn.pot'
>>     plot_num = 11
>>   /
>>   &plot
>>      iflag = 3
>>      output_format = 5
>>
>>   /
>> it gave me bpcn.pot file
>>
>> *Mohammad Ubaid*
>> *PhD Research Scholar*
>> *Department of Physics*
>> *Jamia Millia Islamia University*
>> *New Delhi - 110025*
>>
>>
>> On Tue, Mar 12, 2019 at 5:23 PM Giovanni Cantele <
>> giovanni.cantele at spin.cnr.it> wrote:
>>
>>> quite strange, the file looks ok, are you sure that this is just the
>>> input you’re using? Maybe any special (hidden) character
>>> is present in the file?
>>>
>>> I tried to run average.x with your input and it works, in that it passes
>>> the line that gives you the error and of course complains
>>> about the inexistent WS2.pot file (as it should do).
>>>
>>> Giovanni
>>>
>>> On 12 Mar 2019, at 12:41, Ubaid Mohd <onlymubaid at gmail.com> wrote:
>>>
>>> Dear All QE Users,
>>>
>>> I am using the average.x now and the read the input file as follow :
>>>
>>> 1
>>> WS2.pot1.D0
>>> 1440
>>> 31.461144408
>>>
>>> but when run this it has the follow error:
>>>
>>>      Error in routine average (1):
>>>      nfile is wrong
>>>
>>> nfile should be right, I have read the source file, only when nfile <=0
>>> or >7 will show this error, but in my input file it is set to be 1. Would
>>> you please give me some suggestion on what might be the issue? Thanks very
>>> much.
>>>
>>> Best wishes
>>> *Mohammad Ubaid*
>>> *PhD Research Scholar*
>>> *Department of Physics*
>>> *Jamia Millia Islamia University*
>>> *New Delhi - 110025*
>>> _______________________________________________
>>> users mailing list
>>> users at lists.quantum-espresso.org
>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>>
>>>
>>> --
>>>
>>> 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 <giovanni.cantele at spin.cnr.it>
>>>             gcantele at gmail.com
>>> Phone: +39 081 676910
>>> Skype contact: giocan74
>>> Web page: https://sites.google.com/view/giovanni-cantele
>>>
>>> _______________________________________________
>>> users mailing list
>>> users at lists.quantum-espresso.org
>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>> _______________________________________________
>> users mailing list
>> users at lists.quantum-espresso.org
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>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
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