ABINIT Discussion Forums

Dear all,
how I can see the crystal structure of input data and know that xangst coordinate chooses give the geometry considered.
ie, is there a softwear to visualize ABINIT input and output file.
best regards

Hi Ham,

I believe there's not much vizualization software that can import Abinit in/output files directly.

My choice for vizualization is VMD (http://www.ks.uiuc.edu/Research/vmd/) which can handle
easily 'home-made' plugins to convert alien formats into its own.
I have written a plugin to read Abinit output files (GEO, DEN) into VMD.
(It can't handle the Abinit input file, because its syntax is far too flexible).

I'm about to share my Abinit plugin with the VMD developers; if you're interested in an
early version, I can share that with you.

Cheers!

Dear spamrefuse

Just to clarify my situation, my subject is graphene crystal, and I want to draw

the geometry and have the coordinates for the return xangst parameter in the input file of ABINIT.

Does VDM can do this job and for the output file is that it allows to trace the DOS and
band structure of this material !!

Best regards

Hello Ham,

The most "integrated" visualization software working with Abinit is probably V_Sim - http://inac.cea.fr/sp2m/L_Sim/V_Sim/index.en.html
It is running on *nix and Windows. The most obvious way to try it is to install the distribution package under Ubuntu - it's on the repositories.

Kind regards,

Alain

try the ab2xsf script attached, and read it with XCrysDen (remove the .in I had to add to get the forum to upload the script file).

matthieu

Thank you very much for your reply Mr matthieu

I would like to get your Email adresse for contacting you

best regards.

Dear all:
I used ab2xsf to read abinit input file in the following format:
ab2xsf < file.in > trialabinittoXCrys.xsf;
where file.in is abinit input file.

But trialabinittoXCrys.xsf is empty. Any suggestions? Thank you for your input.

ab2xsf is a script, and does not read from stdin

ab2xsf filename.out > stuff.xsf

it will not read the input file, only the out or log file from an abinit run.

NB: you can also try a script included in the abinit package in ./scripts/deprecated/abi2xsf

Matthieu

Dear Matthieu:
Thank you very much. I figured out that even "cut3d" can create the .xsf output from DEN file. I also tested the ab2xsf the way you suggested. Structure visualization works either way.