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Old 07-07-2011, 12:57 PM
?nkaya Ugur Yigit
 
Default PWgui

Dear users,

I have been using a scientific software called Quantum Espresso(QE),
which computes some of the electronic properties of materials. There
is a GUI called PWgui that is to facilitate the preparation of input
files of QE. Although PWgui version 4.3, which I have installed in my
Ubuntu 11.04 machine, could browse the example input file
al.band.cg.in contained in
../espresso-4.3.1/examples/example01/results, it was not able to open
the file. The paths for QE version 4.3.1 and pwgui executable is the
following, where inkaya is both the root name and my user name:


/home/inkaya/espresso-4.3.1

/home/inkaya/espresso-4.3.1/PWgui-4.3/pwgui

Also a log file for the error has been attached. The problem might be
elementary but I am not an experienced Ubuntu user, so any answer
could be important for me to save time. Thanks in advance.


Ugur Yigit Inkaya
PhD student
Middle East Technical University

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Old 07-08-2011, 01:53 PM
?nkaya Ugur Yigit
 
Default PWgui

Dear users,

I have been using a scientific software called Quantum Espresso(QE),
which computes some of the electronic properties of materials. There
is a GUI called PWgui that is to facilitate the preparation of input
files of QE. Although PWgui version 4.3, which I have installed in my
Ubuntu 11.04 machine, could browse the example input file
al.band.cg.in contained in
../espresso-4.3.1/examples/example01/results, it was not able to open
the file. The paths for QE version 4.3.1 and pwgui executable is the
following, where inkaya is both the root name and my user name:


/home/inkaya/espresso-4.3.1

/home/inkaya/espresso-4.3.1/PWgui-4.3/pwgui

Also a log file for the error has been attached. The problem might be
elementary but I am not an experienced Ubuntu user, so any answer
could be important for me to save time. Thanks in advance.


Regards,

Ugur Yigit Inkaya
PhD student
Middle East Technical University


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Old 07-08-2011, 04:53 PM
NoOp
 
Default PWgui

On 07/08/2011 06:53 AM, ?nkaya Ugur Yigit wrote:
> Dear users,
>
> I have been using a scientific software called Quantum Espresso(QE),
> which computes some of the electronic properties of materials. There
> is a GUI called PWgui that is to facilitate the preparation of input
> files of QE. Although PWgui version 4.3, which I have installed in my
> Ubuntu 11.04 machine, could browse the example input file
> al.band.cg.in contained in
> ../espresso-4.3.1/examples/example01/results, it was not able to open
> the file. The paths for QE version 4.3.1 and pwgui executable is the
> following, where inkaya is both the root name and my user name:
>
...
Have you tried the Q-E pw forums?
http://www.quantum-espresso.org/contacts.php
http://www.democritos.it/mailman/listinfo/pw_forum

Not sure, but perhaps this may also be of help:
<http://conquer-ur-computer.blogspot.com/2010/12/install-quantum-espresso-in-ubuntu.html>


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