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After the release of the new CRYSTAL17 version last September, the CRYSTAL Team is pleased to announce some news and improvements to make your CRYSTAL experience more exciting.

 

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CRYSTAL on the cover 

The performance of the code in terms of parallel efficiency, speed-up and memory distribution of themassively parallel version of the CRYSTAL17program has recently been presented on a paper entitled “Large Scale Condensed Matter DFT Simulations: Performance and Capabilities of the CRYSTAL Code” [J. Chem. Theory Comput., 13, 5019-5027 (2017)].

The code is shown to run and scale efficiently up to 32,000 cores on HPC architectures for the study of systems containing up to 14,000 atoms per cell.

 

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CRYSPLOT is an online web-oriented tool to visualize computed properties of periodic systems totally free for CRYSTAL users.
It is targeted for plotting properties of crystalline solids computed with CRYSTAL code and in particular, one can represent band structure and density of states, among many others.  It permits the modification and customization of plots to meet the standards required for scientific graphics.

 

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NEW TUTORIALS ONLINE! 

Have a look at the restyled website of CRYSTAL online Tutorials with an enhanced readability, more content, and a fancier look!

Tutorials have been also updated to cover the new features of CRYSTAL17.

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HOW TO GET CRYSTAL17
Ordering, download, installation, advice about hardware and other activities related to the use and development of the code are available through the Crystal Solutionswebsite.

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Remember! CRYSTAL14 academic users are entitled of 50% discount!