Welcome on the J-ICE portal!
J-ICE: The 1st online viewer for Crystallographic and Electronic properties. Check it OUT.
Last updates - 20th April 2013
New release of J-ICE,V. 2.0.3, available
- New formats supported for CASTEP outputs (including phonon), VASP POSCAR, and Xcrysden *.xtal files.
- Many bugs fixed and few new options added.
- New introductory miniguides. Click here.
- To replace OpenJDK with the JVM form ORACLE follow this guide here.
J-ICE First Release
20th Oct 10
- J-ICE can also be browsed here (suggested choice).
- J-ICE (v 2.0.3) is currently 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. 44, (2011)." [doi]
A bird's-eye view on J-ICE
deal with CASTEP,
(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 GOALIn 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
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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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.