[Pw_forum] Running an input file

[Gulcin Kucukdalyan]

Merhaba emine,

Thanks a lot for your response. I hope this will help.I am  studying at university of Akron, Oh, USA. 


Gulcin


On Oct 20, 2011, at 4:58 AM, Emine Kucukbenli <kucukben at sissa.it> wrote:

> 
> 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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>>> Pw_forum at pwscf.org
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> 
> 
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