DFT Simulations of Crystal Systems Database - Phys Whiz (BragitOff.com)
Channel: Phys Whiz
Date: 2018-07-29

A database of DFT (Density functional theory) study of various solid state crystal systems. The database provides crystallographic information, crystal visualizer and modeller, CIF file, optimized lattice parameters, optimized atomic positions, plane wave KE cutoff, charge density cutoff, k-grid size, band gap, bandstructure along high symmetry points, density of states (DOS), spin polarized calculations, input files and a lot more.


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