/pw.x -input
your_input_file.inp
hope this help you.
zhou huiqun
@earth sciences, nanjing university, china
- Original Message -
From: Gulcin Kucukdalyan
To: pw_forum at pwscf.org
Sent: Thursday, October 20, 2011 4:52 AM
Subject: [Pw_forum] Running an input file
HI All,
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 wrote:
>
> Merhaba Gulcin,
> Try running the example input files in the examples directory.
> You will see that every
Before running the calculation visualizing the structure is extremely
important. Try using XCrysden to visualize the structure which you made. And
some basic info you will find on MIT-OCW Atomistic material modelling
lectures to prepare a QE input file. Below is the link.
http://ocw.mit.edu/courses
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 susp
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.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
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
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
