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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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Files for kgrid, version 1.1.0
Filename, size File type Python version Upload date Hashes
Filename, size kgrid-1.1.0-py3-none-any.whl (6.8 kB) File type Wheel Python version py3 Upload date Hashes View
Filename, size kgrid-1.1.0.tar.gz (7.3 kB) File type Source Python version None Upload date Hashes View

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