Raw DFT data for "Post-aragonite phases of CaCO3 at lower mantle pressures"
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资源简介：
This dataset contains DFT enthalpies and phonon spectra, computed with PBEsol, that together produce the theoretical static, and P-T quasiharmonic phase diagrams seen in the paper "Post-aragonite phases of CaCO3 at lower mantle pressures".
创建时间：
2018-01-16
