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. 2024 Aug 30;14:20219. doi: 10.1038/s41598-024-69194-w

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© UT-Battelle, LLC and Irmak Sargin, Scott P. Beckman 2024, corrected publication 2024

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Histogram of DFT-predicted percent errors relative to the experimental lattice parameters using different XC functionals. a, b and c lattice parameters are considered separately for each structure.