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Lattice kirigami, ultralight metamaterials, polydisperse aggregates, ceramic nanolattices, and 2D atomic materials share an inherent structural discreteness, and their material properties evolve with their shape. To exemplify the intimate relation among material properties and the local geometry, we explore the properties of phosphorene--a new 2D atomic(More)
We present in this article a pseudopotential (PP) database for DFT calculations in the context of the SIESTA code [1-3]. Comprehensive optimized PPs in two formats (psf files and input files for ATM program) are provided for 20 chemical elements for LDA and GGA exchange-correlation potentials. Our data represents a validated database of PPs for SIESTA DFT(More)
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