[xcrysden] XCrySDen Digest, Vol 73, Issue 3

[Adeleh Mola]

Hi.
you can open your input & output from Quantum ESPRESSO by these command in terminal:
Xcrysden --pwi "input-data-file"
Xcrysden --pwo "output-data-file"



On Tuesday, February 11, 2014 10:35 PM, "xcrysden-request at democritos.it" <xcrysden-request at democritos.it> wrote:
 
Send XCrySDen mailing list submissions to
    xcrysden at democritos.it

To subscribe or unsubscribe via the World Wide Web, visit
    http://www.democritos.it/mailman/listinfo/xcrysden
or, via email, send a message with subject or body 'help' to
    xcrysden-request at democritos.it

You can reach the person managing the list at
    xcrysden-owner at democritos.it

When replying, please edit your Subject line so it is more specific
than "Re: Contents of XCrySDen digest..."


Today's Topics:

   1. Error visualizing MD output (Vikas Negi)
   2. Re: Error visualizing MD output (Tone Kokalj)


----------------------------------------------------------------------

Message: 1
Date: Tue, 11 Feb 2014 14:14:49 +0530
From: Vikas Negi <vnegi at students.iiserpune.ac.in>
Subject: [xcrysden] Error visualizing MD output
To: xcrysden at democritos.it
Message-ID:
    <CA+RFA-sp0uin-9WJiHeFuSzeGYVkNKF0cdFSp8D_6eJA-vZikg at mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"

Hi all,

I am trying to open a pwscf output file (from a md run) in Xcrysden-1.5.24.
I keep getting the following error message:

pwo2xsf.sh: 306: bc: not found

What does it mean and how can I resolve this problem? Kindly help!


Regards,
Vikas Negi
Shell Technology Centre
Bangalore, India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/xcrysden/attachments/20140211/7305d034/attachment.html 

------------------------------

Message: 2
Date: Tue, 11 Feb 2014 09:52:33 +0100
From: Tone Kokalj <tone.kokalj at ijs.si>
Subject: Re: [xcrysden] Error visualizing MD output
To: xcrysden at democritos.it
Message-ID: <1392108753.4377.1.camel at catalyst.ijs.si>
Content-Type: text/plain; charset="UTF-8"

On Tue, 2014-02-11 at 14:14 +0530, Vikas Negi wrote:
> Hi all,
> 
> 
> I am trying to open a pwscf output file (from a md run) in
> Xcrysden-1.5.24. I keep getting the following error message:
> 
> 
> pwo2xsf.sh: 306: bc: not found

You do not have the "bc" calculator installed on your computer
(pwo2xsf.sh script uses it). Depending on your linux distro, you may
install it as

apt-get install bc 
(for Debian based systems)

or

yum install bc 
(for Fedora based systems)

Regards,

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

Please, if possible, avoid sending me Word or PowerPoint attachments.
See:  http://www.gnu.org/philosophy/no-word-attachments.html



------------------------------

_______________________________________________
XCrySDen mailing list
XCrySDen at democritos.it
http://www.democritos.it/mailman/listinfo/xcrysden


End of XCrySDen Digest, Vol 73, Issue 3
***************************************
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/xcrysden/attachments/20140309/a8a4e3e3/attachment.htm