Release 2024.10.17 contains updates and UX improvements. We highlight (1) the addition of the PAW (projector augmented wave) ONCV pseudopotential set from Pseudo Dojo with significantly smaller default cutoff values - 10 Ry instead of 40 Ry; (2) an ability to create twisted bilayers in 2D materials, such as twisted bilayer graphene with commensurate lattices at specific angles; (3) a new introductory video demonstrating how to access the platform while getting started - web interface, command-line terminal, and/or JupyterLite.
Release 2024.10.17 contains updates and UX improvements. We highlight (1) the addition of the PAW (projector augmented wave) ONCV pseudopotential set from Pseudo Dojo with significantly smaller default cutoff values - 10 Ry instead of 40 Ry; (2) an ability to create twisted bilayers in 2D materials, such as twisted bilayer graphene with commensurate lattices at specific angles; (3) a new introductory video demonstrating how to access the platform while getting started - web interface, command-line terminal, and/or JupyterLite.
We highlight the addition of the PAW (projector augmented wave) ONCV pseudopotential set from Pseudo Dojo with significantly smaller default cutoff values - 10 Ry instead of 40 Ry. Below are representative visuals.
Here's the comparison for Silicon Bandstructure:
and the corresponding setup for Quantum ESPRESSO:
An example Jupyter notebook demonstrating the ability to create twisted bilayers both for nanoribbons and commensurate lattices. Below is a quick demonstration of what's possible.
New introductory video demonstrating how to access the platform while getting started - web interface, command-line terminal, and/or JupyterLite.
Try the new functionality online at https://platform.mat3ra.com/
