Dear colleagues, I apologize for a basic question.
Could anybody advice a freeware which would convert Cartesian coordinates (ideally, from a simple xyz list) into crystal ones, using user-supplied lattice basis vectors? It is clear that formulae are simple and available in textbooks, but it is also easy to make mistakes in non-orthogonal case, and I want to check myself (my code). Or maybe Fortran/C/whatever code (would be even better)? Sincerely, Maxim. ________________________________ Maxim V. Lobanov Inorganic Crystal Chemistry lab. Moscow State University mailto:[email protected]
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