[Pw_forum] Running an input file

[Emine Kucukbenli]

Merhaba Gulcin,
Try running the example input files in the examples directory.
You will see that every run_example is nothing but a script that  
generates the input files (text) and
invokes the necessary executable (such as pw.x).
you can take a look at run_example, it is not binary.

If you suspect you are missing something in the format of input files,
just edit one of the input files generated by the run_example
to represent your system and calculation.

to understand the keywords used take a look at their descriptions.
The following is the description of input for pw.x executable:

http://www.quantum-espresso.org/input-syntax/INPUT_PW.html

You seem to be at the beginning of things,
if available, local help would let you advance faster than the mailing list.
If you provide your affiliation,
your chances of finding someone in your area/institute is higher,
cheers

emine kucukbenli, phd student, sissa, italy

Quoting Gulcin Kucukdalyan <gkucukdalyan at gmail.com>:

> Dear Mohnish,
>
> Thanks a lot for your response. I am trying to prepare an input file  
> for graphene. I just prepared a text file and tried to run it and  
> did not work. I really cannot find detailed explanation about how to  
> prepare an input file. Can  you please suggest me any if exist?
>
> Gulcin
>
> On Oct 19, 2011, at 10:53 PM, mohnish pandey <mohnish.iitk at gmail.com> wrote:
>
>> Dear Gulcin !
>>
>> To run an an input file for example an input file of pw.x you  
>> should invoke the command for pw.x. /espresso directory/bin/pw.x  
>> <abc.scf.in> abc.scf.out. In this /espresso directory/ is the  
>> address to espresso directory, "abc.scf.in" is the name of the QE  
>> input file and "abc.scf.out" is the the QE output file. This is the  
>> crudest way to run an input file. And next time please mention your  
>> affiliation. Hope it helps.
>>
>> On Thu, Oct 20, 2011 at 2:22 AM, Gulcin Kucukdalyan  
>> <gkucukdalyan at gmail.com> wrote:
>> HI All,
>>
>> Could you please tell me how can i run an input file. It is the  
>> second time i am asking this question. Last time i was asked to  
>> read tutorials. It is not specified there if i have to prepare a  
>> text file or an executable file (run_example) like the ones in the  
>> examples. If i have to prepare a text file how can i run it.
>>
>> Thanks,
>>
>> Gulcin
>>
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>>
>>
>>
>> --
>> Regards,
>> MOHNISH,
>> -----------------------------------------------------------------
>> Mohnish Pandey
>> BTech-Mtech, IIT Kanpur
>> Senior Project Associate,
>> Department of Chemical Engineering,
>> IIT KANPUR, UP, INDIA
>> -----------------------------------------------------------------
>>
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