Reciprocal space sampling for atomistic crystal structures
Project description
Generate reciprocal-space grids with scalar cutoff parameters and standard crystal structure files. kgrid helps with k-point convergence problems when using ab initio codes that lack a single-parameter option, and help you understand and plan calculations with codes that do.
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| Filename, size kgrid-1.1.0-py3-none-any.whl (6.8 kB) | File type Wheel | Python version py3 | Upload date | Hashes View |
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