GUI for generatin input files

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
hatuey
Posts: 14
Joined: Tue Mar 23, 2010 3:35 pm

GUI for generatin input files

Post by hatuey » Tue Mar 23, 2010 3:40 pm

Hello all,

I am new to Abinit, so, after searching this forum, I would like to know if there is any script or Graphical User Interface program to generate Abinit input files.

Best regards,

Hatuey

gonze
Posts: 412
Joined: Fri Aug 14, 2009 8:29 pm

Re: GUI for generatin input files

Post by gonze » Tue Mar 23, 2010 6:53 pm

Not yet, but perhaps something in a few months. Under testing at present ...
Xavier

hatuey
Posts: 14
Joined: Tue Mar 23, 2010 3:35 pm

Re: GUI for generatin input files

Post by hatuey » Wed Mar 24, 2010 1:35 pm

ok, thank you!

[]'s,

Hatuey

aihaike
Posts: 1
Joined: Fri Feb 04, 2011 5:32 pm

Re: GUI for generatin input files

Post by aihaike » Fri Feb 04, 2011 5:45 pm

Hey Hatuey,

Did you get any answer?
I'm also looking for a GUI for abinit.
Did you know about that? http://nanohub.org/resources/6875/downl ... T_FTUG.ppt
The author use a GUI, but don't know which one ....

Eric.

User avatar
jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: GUI for generatin input files

Post by jzwanzig » Tue Feb 08, 2011 3:03 pm

The GUI you are referring to appears to have been written by nanoHUB.org to support their installation of abinit. It seems to use Java. I can't tell whether they give it away or not (I don't think so). And, (unfortunately IMHO) they call their interface tool "abinit", in addition to the open source dft code we develop, which of course is also called abinit.
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: GUI for generatin input files

Post by mverstra » Fri Mar 04, 2011 11:51 pm

Their tool infrastructure is GPL, but the individual tools are not all open. I discussed with Kleimeck who is the instigator of nanohub, and he said he would ask the other developpers of the abinit tool if we could use it. No news, but we should press him for more details.

Matthieu
Matthieu Verstraete
University of Liege, Belgium

Locked