2D/1D Crystal Structure Relaxations #354
Description
Summary
Measures Performance in relaxing two-dimensional and one-dimension crystal structures from the Alexandria database. (energy and area/length errors with respect to PBE data)
Interactive features
Results Table/ Scatter plots
Category
bulk_crystal
Data availability
PBE relaxed structures
https://alexandria.icams.rub.de/data/pbe_2d
https://alexandria.icams.rub.de/data/pbe_1d
Computational cost
Will depend on number of selected structures hour to day
Additional context
No response