DFT Simulations of Crystal Systems Database - Phys Whiz (BragitOff.com)
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YouTubePhys Whiz
DFT Simulations of Crystal Systems Database - Phys Whiz (BragitOff.com)
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 ...
16.8K viewsJul 29, 2018
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