This is a SimGrid trace of the NASPB LU benchmark on a model of graphene using the Hybrid SMPI model. The trace was obtained by Georges Markomanolis using SimGrid 3.10.0. The trace was too large to be
This repository provides DFT-calculated electronic (band structure and DOS), phonon (dispersion and DOS), elastic, mechanical, and optical properties of the lead-free double perovskite Cs2LiFeCl6, sup
This dataset contains the input and output files for the defect calculations as described in the paper "Nonunique fraction of Fock exchange for defects in two-dimensional materials". ws2.tar.gz: PBE a
We have performed mechanical calculations on uniform suspended ultrathin membranes on circular holes. We have reported strain, stress, deflection, surface area, volume, radius of curvature, gradient,
