Materials Studio 5.5 Updates - Details

Update 2 (version 5.5.2)

The update corrects an issue with CASTEP and DMol3 when performing geometry optimization with variable cell parameters and dispersion corrections (DFT-D). The correction energy was calculated incorrectly for all but the initial geometry. This could be diagnosed by comparing the final reported energy with the value obtained in a single point energy calculation for the final structure of the geometry optimization run.

Go to the patch download webpage »

Update 1 (version 5.5.1)

The update corrects importing of DMol3 fields for periodic cases which impacted electron density, electrostatic potential, and Fukui functions, causing the field to be shifted from the proper position.

Note that this issue relates only to the visualization of the results and does not affect calculations.

Go to the patch download webpage »

All Materials Studio 5.5 Updates