Welcome on the J-ICE portal!

This is the homepage of J-ICE: A Jmol Interface for Crystallographic and Electronic Properties.

J-ICE is distributed under the General Public License [GNU].

J-ICE: The 1^st online viewer for Crystallographic and Electronic properties. Check it OUT.

Last updates - 22^nd May 2011

New release of J-ICE,V. 2.0, available

J-ICE now supports SIESTA input and output files
A short guide on how to make J-ICE to work on Linux along with Firefox is available here.
A completely new graphical interface.
Many bugs fixed and few new options added.
New introductory miniguides. Click here.

J-ICE First Release

20^th Oct 10

J-ICE can also be browsed here (suggested choice).
J-ICE (v 2.0) is currentely available for download here (Sourceforge project page).

What to cite when using J-ICE?

Please DO CITE!

For the time being please use this quote in your manuscripts:

"J-ICE: a new Jmol interface for handling and visualizing Crystallographic and Electronics properties",
P. Canepa, R.M. Hanson, P. Ugliengo, M. Alfredsson J. Appl. Cryst., (2011), 44" [doi]

A bird's-eye view on J-ICE

J-ICE can deal with CASTEP, CRYSTAL09 (as well as 06, 03 and 98), Gaussian09 (G03), GROMACS, QUANTUM ESPRESSO, VASP, Wien2k, FHI-aim, CIF, PDB and many others formats.

Both Jmol and J-ICE were meant to be operative system independent. This is because of the J, from Java, in front of their names. In a nutshell these two packages run on Linux (or POSIX like operative systems), Windows, MacOS X, etc.

Our GOAL

In the future we want to expand our interface, towards the analysis of crystallographic properties, now "easily" achievable with most of the current simulation packages.
This is not an easy task, as simulation packages evolve continually. WE TRY TO CATCH UP!

At the present J-ICE is compatible with CRYSTAL09 and VASP. In fact, the user can freely follow geometry optimization task as well as manipulate frequencies data.
More details and info are available here.

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Acknowledgments

First of all I (Pieremanuele Canepa) would like to thank Dr Yves Noel (at Université Pierre et Marie CURIE, Paris, France) who has inspired me in building such interface along many useful tips. My current supervisor, Dr Maria Alfredsson, must not be forgotten for having supported, with grit, my idea. Colleagues of Room 104 at the Phisycal Sciences department at University of Kent, Canterbury, UK.

In sequence comes Prof. Piero Ugliengo and his Group (Fabio Chiatti and Dr Marta Corno) for their endless patience spotting errors and giving suggestions and Prof. Dovesi for having very well welcomed my idea.

A special thank also goes to Prof. Robert Hanson at chemistry department of St. Olaf College (Minnesota, USA) and the Jmol crew.